6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide

C14H15ClN4O — CID 109338941

IUPAC6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C14H15ClN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyVHFUFQXFMPAZQI-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.01
Rot. Bonds4

About 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109338941) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109338941
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)NC(=O)c1cc(Nc2ccccc2Cl)ncn1
InChIInChI=1S/C14H15ClN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,18,20)(H,16,17,19)
InChIKeyVHFUFQXFMPAZQI-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338945
methyl 4-[[6-(2-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358072
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
6-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358063
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
N-butan-2-yl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109340845
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
6-(3-bromoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338989
methyl 2-[[6-(butan-2-ylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109340901

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide (CID 109338941) is 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide is CC(C)NC(=O)c1cc(Nc2ccccc2Cl)ncn1.
What is the InChIKey of 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is VHFUFQXFMPAZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9(2)18-14(20)12-7-13(17-8-16-12)19-11-6-4-3-5-10(11)15/h3-9H,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).