2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide

C17H19ClN4O — CID 109250380

IUPAC2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H19ClN4O/c18-13-5-4-8-15(9-13)22-17-19-10-12(11-20-17)16(23)21-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,23)(H,19,20,22)
InChIKeyHOFHPHVBFFHWHI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.94
Rot. Bonds4

About 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide

2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide (PubChem CID 109250380) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
PubChem CID109250380
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C17H19ClN4O/c18-13-5-4-8-15(9-13)22-17-19-10-12(11-20-17)16(23)21-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,23)(H,19,20,22)
InChIKeyHOFHPHVBFFHWHI-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide (CID 109250380) is 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide?
The InChIKey is HOFHPHVBFFHWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-13-5-4-8-15(9-13)22-17-19-10-12(11-20-17)16(23)21-14-6-2-1-3-7-14/h4-5,8-11,14H,1-3,6-7H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).