(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide

C10H13N3O — CID 175617001

IUPAC(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(C)nc(C2C[C@@H]2C(N)=O)n1
InChIInChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1
InChIKeyOKCKVQHJQGFRSU-JAMMHHFISA-N
MW191.23 g/mol
LogP0.68
Rot. Bonds2

About (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide

(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 175617001) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
PubChem CID175617001
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide
SMILESCc1cc(C)nc(C2C[C@@H]2C(N)=O)n1
InChIInChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1
InChIKeyOKCKVQHJQGFRSU-JAMMHHFISA-N
XLogP0.68
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2-(4,6-dimethylpyrimidin-2-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

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 175617001) is (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide is Cc1cc(C)nc(C2C[C@@H]2C(N)=O)n1.
What is the InChIKey of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is OKCKVQHJQGFRSU-JAMMHHFISA-N. The full InChI is InChI=1S/C10H13N3O/c1-5-3-6(2)13-10(12-5)8-4-7(8)9(11)14/h3,7-8H,4H2,1-2H3,(H2,11,14)/t7-,8?/m0/s1.
What are the key properties of (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide?
(1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4,6-dimethylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 175617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).