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

C20H20N4O — CID 109304225

IUPACN-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-6-8-17(9-7-14)23-19(25)18-10-11-21-20(24-18)22-13-16-5-3-4-15(2)12-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIJYFVINBWISRRU-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.96
Rot. Bonds5

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

N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109304225) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109304225
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-14-6-8-17(9-7-14)23-19(25)18-10-11-21-20(24-18)22-13-16-5-3-4-15(2)12-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIJYFVINBWISRRU-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

methyl 4-[[2-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109304279
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304200
N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
N-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109304554
2-(furan-2-ylmethylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109303249
N-(4-ethylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188546

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109304225) is N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCc3cccc(C)c3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is IJYFVINBWISRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-6-8-17(9-7-14)23-19(25)18-10-11-21-20(24-18)22-13-16-5-3-4-15(2)12-16/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(4-methylphenyl)-2-[(3-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-(4-methylphenyl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109304225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).