6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

C16H19ClN4O — CID 109360296

IUPAC6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C16H19ClN4O/c1-4-7-18-16(22)14-9-15(20-11(3)19-14)21-13-6-5-12(17)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyIPEMCRQCYUIRRH-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.63
Rot. Bonds5

About 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide

6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109360296) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109360296
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1
InChIInChI=1S/C16H19ClN4O/c1-4-7-18-16(22)14-9-15(20-11(3)19-14)21-13-6-5-12(17)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyIPEMCRQCYUIRRH-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369910
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367382
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
N-(4-chlorophenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848839
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
ethyl 2-[[2-methyl-6-(propylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109360363
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide (CID 109360296) is 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2ccc(Cl)cc2C)nc(C)n1.
What is the InChIKey of 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is IPEMCRQCYUIRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-4-7-18-16(22)14-9-15(20-11(3)19-14)21-13-6-5-12(17)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide?
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).