6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

C21H22N4O3 — CID 109352420

IUPAC6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-14-6-4-5-7-16(14)25-21(26)17-11-20(24-13-23-17)22-12-15-8-9-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyOUFWTSOIKKQXPU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds7

About 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide

6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109352420) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109352420
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)cc1OC
InChIInChI=1S/C21H22N4O3/c1-14-6-4-5-7-16(14)25-21(26)17-11-20(24-13-23-17)22-12-15-8-9-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyOUFWTSOIKKQXPU-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

6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109352431
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
6-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347409
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555
6-(1,3-benzodioxol-5-ylmethylamino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109349289
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109343328
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858911
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
4-[(3,4-dimethoxyphenyl)methylamino]-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109215565
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide (CID 109352420) is 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)Nc3ccccc3C)ncn2)cc1OC.
What is the InChIKey of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OUFWTSOIKKQXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-6-4-5-7-16(14)25-21(26)17-11-20(24-13-23-17)22-12-15-8-9-18(27-2)19(10-15)28-3/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide?
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-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 6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109352420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).