N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

C21H22N4O3 — CID 109329140

IUPACN-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C21H22N4O3/c1-14-12-17(20(26)24-16-9-5-7-11-19(16)28-3)25-21(23-14)22-13-15-8-4-6-10-18(15)27-2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyJBXRIZMZWFLNLW-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329140) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109329140
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C21H22N4O3/c1-14-12-17(20(26)24-16-9-5-7-11-19(16)28-3)25-21(23-14)22-13-15-8-4-6-10-18(15)27-2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyJBXRIZMZWFLNLW-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-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109324949
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334311
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329155
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(2-ethylphenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329270
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-[(2-methoxyphenyl)methyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323874
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109329140) is N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is COc1ccccc1CNc1nc(C)cc(C(=O)Nc2ccccc2OC)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is JBXRIZMZWFLNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-12-17(20(26)24-16-9-5-7-11-19(16)28-3)25-21(23-14)22-13-15-8-4-6-10-18(15)27-2/h4-12H,13H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-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-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).