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

C20H20N4O — CID 109303953

IUPACN-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C20H20N4O/c1-14-7-3-5-9-16(14)13-22-20-21-12-11-18(24-20)19(25)23-17-10-6-4-8-15(17)2/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZBWOYSNAFALTOM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

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

N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109303953) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109303953
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C)n1
InChIInChI=1S/C20H20N4O/c1-14-7-3-5-9-16(14)13-22-20-21-12-11-18(24-20)19(25)23-17-10-6-4-8-15(17)2/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZBWOYSNAFALTOM-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
N-(2-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307498
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
2-(2,6-difluoroanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313797

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109303953) is N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccccc1CNc1nccc(C(=O)Nc2ccccc2C)n1.
What is the InChIKey of N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is ZBWOYSNAFALTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-7-3-5-9-16(14)13-22-20-21-12-11-18(24-20)19(25)23-17-10-6-4-8-15(17)2/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).