CAS RN: 23103-98-2

Pirimicarb solution, 100μg/mL,U=2% in acetone

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Batchno.20260524 1.2ml In stock Shanghai, Shandong, Hebei Inquiry
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  • Product code: LINP816120
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23103-98-2 / [2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate

Standard CAS: 23103-98-2 Multi CAS: No

Basic Information

CAS
23103-98-2
Multi CAS
No
Molecular Formula
C11H18N4O2
Molecular Weight
238.290000
Exact Mass
238.142976
SMILES
CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
InChIKey
YFGYUFNIOHWBOB-UHFFFAOYSA-N

Physical Properties

Melting Point
90.5 °C
Density
1.21 g/cu cm
Physical Description
Colorless solid; [HSDB]
Appearance
Colorless solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
65.54
TPSA
58.56

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
1.7
Consensus LogP
1.33
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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