CAS RN: 1192569-90-6
2-(Cyclopropylmethoxy)pyrimidine-5-carbaldehyde
- Product code: SSC-019761
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1192569-90-6 / 2-(cyclopropylmethoxy)pyrimidine-5-carbaldehyde
2-(cyclopropylmethoxy)pyrimidine-5-carbaldehyde | MFCD26843559 | 2-(cyclopropylmethoxy)-5-pyrimidinecarboxaldehyde
Basic Information
CAS
1192569-90-6
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
C1CC1COC2=NC=C(C=N2)C=O
InChI
InChI=1S/C9H10N2O2/c12-5-8-3-10-9(11-4-8)13-6-7-1-2-7/h3-5,7H,1-2,6H2
InChIKey
IOSOHXWZMSCSEJ-UHFFFAOYSA-N
Synonyms
2-(cyclopropylmethoxy)pyrimidine-5-carbaldehyde
MFCD26843559
2-(cyclopropylmethoxy)-5-pyrimidinecarboxaldehyde
SCHEMBL12701418
AC1448
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
45.64
TPSA
52.08
LogP / Solubility
WLOGP
1.08
MLOGP
0.95
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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