6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

C20H16ClN5O2 — CID 112850402

IUPAC6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)nc(C)n1
InChIInChI=1S/C20H16ClN5O2/c1-12-23-17(20(27)25-15-6-3-13(11-22)4-7-15)10-19(24-12)26-16-9-14(21)5-8-18(16)28-2/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyYASKNOPMRFOEKM-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.31
Rot. Bonds5

About 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850402) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850402
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)nc(C)n1
InChIInChI=1S/C20H16ClN5O2/c1-12-23-17(20(27)25-15-6-3-13(11-22)4-7-15)10-19(24-12)26-16-9-14(21)5-8-18(16)28-2/h3-10H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyYASKNOPMRFOEKM-UHFFFAOYSA-N
XLogP4.31
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloro-2-methylanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850278
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
6-(2-chloroanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850016
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
N-butan-2-yl-6-(5-chloro-2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109362620
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(4-cyanoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849979

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide (CID 112850402) is 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(Cl)cc1Nc1cc(C(=O)Nc2ccc(C#N)cc2)nc(C)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YASKNOPMRFOEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-12-23-17(20(27)25-15-6-3-13(11-22)4-7-15)10-19(24-12)26-16-9-14(21)5-8-18(16)28-2/h3-10H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).