N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide

C16H15Cl2N3O — CID 136581557

IUPACN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H15Cl2N3O/c1-8-13(7-19-9(2)20-8)16(22)21-15-6-12(15)11-4-3-10(17)5-14(11)18/h3-5,7,12,15H,6H2,1-2H3,(H,21,22)/t12-,15+/m0/s1
InChIKeyHVCFYRGSCSBYEW-SWLSCSKDSA-N
MW336.22 g/mol
LogP3.69
Rot. Bonds3

About N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide

N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide (PubChem CID 136581557) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
PubChem CID136581557
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC NameN-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(C)n1
InChIInChI=1S/C16H15Cl2N3O/c1-8-13(7-19-9(2)20-8)16(22)21-15-6-12(15)11-4-3-10(17)5-14(11)18/h3-5,7,12,15H,6H2,1-2H3,(H,21,22)/t12-,15+/m0/s1
InChIKeyHVCFYRGSCSBYEW-SWLSCSKDSA-N
XLogP3.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-4-ethyl-1,3-oxazole-5-carboxamide
CID 138017043
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 166359383
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]pyrimidine-2-carboxamide
CID 121377101
N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
N-[2-(2,4-dichlorophenyl)cyclobutyl]acetamide
CID 121382514
2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
CID 121377181
1-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2-(2-methoxyethyl)guanidine
CID 122082473
2-bromo-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]furan-3-carboxamide
CID 121377084
N-(4-chloro-2,5-dimethoxyphenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648532
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethylpyrimidine-5-carboxamide
CID 75472314

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide (CID 136581557) is N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)c(C)n1.
What is the InChIKey of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide?
The InChIKey is HVCFYRGSCSBYEW-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c1-8-13(7-19-9(2)20-8)16(22)21-15-6-12(15)11-4-3-10(17)5-14(11)18/h3-5,7,12,15H,6H2,1-2H3,(H,21,22)/t12-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide?
N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]-2,4-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 136581557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).