N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C21H22N4O3 — CID 109256303

IUPACN-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccc(C)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-14-4-6-15(7-5-14)11-22-21-23-12-16(13-24-21)20(26)25-18-9-8-17(27-2)10-19(18)28-3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCXZOZWZXGIABRD-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109256303) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109256303
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccc(C)cc3)nc2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-14-4-6-15(7-5-14)11-22-21-23-12-16(13-24-21)20(26)25-18-9-8-17(27-2)10-19(18)28-3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyCXZOZWZXGIABRD-UHFFFAOYSA-N
XLogP3.67
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256299
N-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188808
N-(3-methoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256295
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327859
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
2-[(4-chlorophenyl)methylamino]-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109257738
2-(2,4-dimethoxyanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267314
N-(2,5-dimethoxyphenyl)-2-(propylamino)pyrimidine-5-carboxamide
CID 109246802
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109256303) is N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(NCc3ccc(C)cc3)nc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is CXZOZWZXGIABRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-4-6-15(7-5-14)11-22-21-23-12-16(13-24-21)20(26)25-18-9-8-17(27-2)10-19(18)28-3/h4-10,12-13H,11H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).