N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109337379

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C21H21ClN4O2/c1-12-9-13(2)19(15(22)10-12)26-20(27)17-11-14(3)23-21(25-17)24-16-7-5-6-8-18(16)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyVETARRBMVJTVGU-UHFFFAOYSA-N
MW396.88 g/mol
LogP5.06
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337379) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337379
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1
InChIInChI=1S/C21H21ClN4O2/c1-12-9-13(2)19(15(22)10-12)26-20(27)17-11-14(3)23-21(25-17)24-16-7-5-6-8-18(16)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyVETARRBMVJTVGU-UHFFFAOYSA-N
XLogP5.06
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337373
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244973
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337379) is N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccccc1Nc1nc(C)cc(C(=O)Nc2c(C)cc(C)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VETARRBMVJTVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-12-9-13(2)19(15(22)10-12)26-20(27)17-11-14(3)23-21(25-17)24-16-7-5-6-8-18(16)28-4/h5-11H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).