2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

C19H18N4O — CID 109255987

IUPAC2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)Nc3ccccc3)cn2)c1
InChIInChI=1S/C19H18N4O/c1-14-6-5-7-15(10-14)11-20-19-21-12-16(13-22-19)18(24)23-17-8-3-2-4-9-17/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYBGABRGKBFPBNV-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.65
Rot. Bonds5

About 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (PubChem CID 109255987) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
PubChem CID109255987
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(CNc2ncc(C(=O)Nc3ccccc3)cn2)c1
InChIInChI=1S/C19H18N4O/c1-14-6-5-7-15(10-14)11-20-19-21-12-16(13-22-19)18(24)23-17-8-3-2-4-9-17/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYBGABRGKBFPBNV-UHFFFAOYSA-N
XLogP3.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(2,4-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255994
N-(2,3-dimethylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255999
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (CID 109255987) is 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is Cc1cccc(CNc2ncc(C(=O)Nc3ccccc3)cn2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is YBGABRGKBFPBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-6-5-7-15(10-14)11-20-19-21-12-16(13-22-19)18(24)23-17-8-3-2-4-9-17/h2-10,12-13H,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109255987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).