1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

C9H11N3O — CID 171832956

IUPAC1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ncncc1C1(C(N)=O)CC1
InChIInChI=1S/C9H11N3O/c1-6-7(4-11-5-12-6)9(2-3-9)8(10)13/h4-5H,2-3H2,1H3,(H2,10,13)
InChIKeyNFNKESGESHWVQI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.30
Rot. Bonds2

About 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide

1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 171832956) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
PubChem CID171832956
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1ncncc1C1(C(N)=O)CC1
InChIInChI=1S/C9H11N3O/c1-6-7(4-11-5-12-6)9(2-3-9)8(10)13/h4-5H,2-3H2,1H3,(H2,10,13)
InChIKeyNFNKESGESHWVQI-UHFFFAOYSA-N
XLogP0.30
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-4-methyl-5-(2-methylbutan-2-yl)pyrimidine
CID 146377754
2-(2-Chloro-5-fluoropyrimidin-4-yl)-3-methylbutanamide
CID 166756913
2-(2-Chloro-5-fluoropyrimidin-4-yl)-2-methylpropanamide
CID 166756934
1-(2-Chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide
CID 166756948
1-(2-Chloro-5-fluoropyrimidin-4-yl)cyclopentane-1-carboxamide
CID 166757007
2-[[[(E)-4-amino-3-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]but-3-en-2-ylidene]amino]methyl]-3,3-difluoro-2-methylpropanamide
CID 166913315
2-(2-Tert-butyl-5-fluoropyrimidin-4-yl)acetamide
CID 167216137
1-[4-(1,1-Difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide;ethane
CID 171833199
1-[2,2-Difluoro-1-(4-methylpyrimidin-5-yl)cyclopropyl]methanamine
CID 165682898
2,2-Difluoro-1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
CID 165740360
1,1,1-Trifluoro-3-(4-methylpyrimidin-5-yl)propan-2-one
CID 165837825
1-[4-(1,1-Difluoroethyl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 171833200

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide (CID 171832956) is 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is Cc1ncncc1C1(C(N)=O)CC1.
What is the InChIKey of 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is NFNKESGESHWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-7(4-11-5-12-6)9(2-3-9)8(10)13/h4-5H,2-3H2,1H3,(H2,10,13).
What are the key properties of 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide?
1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171832956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).