1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide

C10H12ClN3O — CID 171833079

IUPAC1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc(C)c(C2(C(N)=O)CC2)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-5-7(8(11)14-6(2)13-5)10(3-4-10)9(12)15/h3-4H2,1-2H3,(H2,12,15)
InChIKeyPZNLACOCKSNXKX-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.26
Rot. Bonds2

About 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide

1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 171833079) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide
PubChem CID171833079
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide
SMILESCc1nc(C)c(C2(C(N)=O)CC2)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-5-7(8(11)14-6(2)13-5)10(3-4-10)9(12)15/h3-4H2,1-2H3,(H2,12,15)
InChIKeyPZNLACOCKSNXKX-UHFFFAOYSA-N
XLogP1.26
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2,6-dimethylpyrimidin-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

4-Tert-butyl-6-chloro-2-methyl-5-propan-2-ylpyrimidine
CID 117881955
1-(4-Chloro-6-methylpyrimidin-5-yl)cyclopropane-1-carboxamide
CID 171832889
1-(4-Chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxylic acid
CID 171833060
2-chloro-4-methylspiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
CID 175623877
4-Chloro-2-methyl-7,8-dihydroquinazolin-6(5H)-one
CID 55263448
1-(4-Chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine
CID 84774698
1-(4-Chloro-6-ethyl-2-methylpyrimidin-5-yl)cyclopropan-1-amine
CID 84782129
4-Chloro-2-(2,2-dimethylcyclopropyl)-6-ethyl-5-methylpyrimidine
CID 107925411
4-Chloro-5-cyclopropyl-2-ethyl-6-methylpyrimidine
CID 165573006
4-Chloro-5-cyclopropyl-2,6-dimethylpyrimidine
CID 165590404
4-Chloro-2,6-dimethyl-5-(1-propan-2-ylcyclopropyl)pyrimidine
CID 176962447

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide (CID 171833079) is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide is Cc1nc(C)c(C2(C(N)=O)CC2)c(Cl)n1.
What is the InChIKey of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide?
The InChIKey is PZNLACOCKSNXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-5-7(8(11)14-6(2)13-5)10(3-4-10)9(12)15/h3-4H2,1-2H3,(H2,12,15).
What are the key properties of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide?
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171833079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).