N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109371506

IUPACN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-14-24-18(21(27)26-17-12-16(22)8-9-19(17)28-2)13-20(25-14)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyOARJDIVJMVUHDO-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.35
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109371506) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109371506
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-14-24-18(21(27)26-17-12-16(22)8-9-19(17)28-2)13-20(25-14)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyOARJDIVJMVUHDO-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109361667
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371487
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109371506) is N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(NCCc2ccccc2)nc(C)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is OARJDIVJMVUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14-24-18(21(27)26-17-12-16(22)8-9-19(17)28-2)13-20(25-14)23-11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).