N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

C21H22N4O — CID 109327605

IUPACN,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(CNc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15-8-7-9-17(12-15)14-22-21-23-16(2)13-19(24-21)20(26)25(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyUHTLZWPHZJMLEY-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.98
Rot. Bonds5

About N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide

N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109327605) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109327605
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
SMILESCc1cccc(CNc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15-8-7-9-17(12-15)14-22-21-23-16(2)13-19(24-21)20(26)25(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyUHTLZWPHZJMLEY-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109330815
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322449
1-[4-[6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326662
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide (CID 109327605) is N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is Cc1cccc(CNc2nc(C)cc(C(=O)N(C)c3ccccc3)n2)c1.
What is the InChIKey of N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is UHTLZWPHZJMLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-7-9-17(12-15)14-22-21-23-16(2)13-19(24-21)20(26)25(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23,24).
What are the key properties of N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide?
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109327605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).