6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

C20H20N4O2 — CID 46178419

IUPAC6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O2/c1-24(13-15-6-4-3-5-7-15)19-12-18(21-14-22-19)20(25)23-16-8-10-17(26-2)11-9-16/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyKXQQDWVSBAJJBE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.37
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide

6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 46178419) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID46178419
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O2/c1-24(13-15-6-4-3-5-7-15)19-12-18(21-14-22-19)20(25)23-16-8-10-17(26-2)11-9-16/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyKXQQDWVSBAJJBE-UHFFFAOYSA-N
XLogP3.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
Gnf-2
CID 5311510
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
6-cyclopropyl-N-[4-methoxy-2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548303
N-{2-[(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidin-1-yl]-5-fluorophenyl}-2-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxamide
CID 139446226
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
6-(cyclohexyl(ethyl)amino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 25182763
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide (CID 46178419) is 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(N(C)Cc3ccccc3)ncn2)cc1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is KXQQDWVSBAJJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(13-15-6-4-3-5-7-15)19-12-18(21-14-22-19)20(25)23-16-8-10-17(26-2)11-9-16/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide?
6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 46178419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).