N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

C20H20N4O — CID 109347313

IUPACN-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)13-21-19-12-18(22-14-23-19)20(25)24(2)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,21,22,23)
InChIKeyLVQVPWMFDAYTFR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.67
Rot. Bonds5

About N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109347313) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109347313
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)13-21-19-12-18(22-14-23-19)20(25)24(2)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,21,22,23)
InChIKeyLVQVPWMFDAYTFR-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370374
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
N-(3-methylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347311
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347330

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (CID 109347313) is N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is Cc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1.
What is the InChIKey of N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is LVQVPWMFDAYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-8-10-16(11-9-15)13-21-19-12-18(22-14-23-19)20(25)24(2)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,21,22,23).
What are the key properties of N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109347313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).