![CAS 192314-93-5 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4- diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/192314-93-5.gif)
CAS RN: 192314-93-5
5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4- diamine
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6 package records4 with current stock3 grade groups
- Product code: starshine_CAS192314-93-5
- Purity/Analytical Methods: >99.0%
192314-93-5 / 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Basic Information
CAS
192314-93-5
Multi CAS
No
Molecular Formula
C19H22N4O3
Molecular Weight
354.400000
Exact Mass
354.169191
SMILES
COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC
InChI
InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
InChIKey
HWJPWWYTGBZDEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
99.38
TPSA
105.51
LogP / Solubility
WLOGP
2.43
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
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![CAS 192318-04-0 Pyridine, 2-[(4S)-4-cyclohexyl-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/192318-04-0.gif)
