N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C23H26N4O — CID 109327446

IUPACN-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(NCc2ccccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-5-27(20-12-8-9-16(2)13-20)22(28)21-14-18(4)25-23(26-21)24-15-19-11-7-6-10-17(19)3/h6-14H,5,15H2,1-4H3,(H,24,25,26)
InChIKeyWKHBSRLPFUADNX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

About N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327446) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327446
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(NCc2ccccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-5-27(20-12-8-9-16(2)13-20)22(28)21-14-18(4)25-23(26-21)24-15-19-11-7-6-10-17(19)3/h6-14H,5,15H2,1-4H3,(H,24,25,26)
InChIKeyWKHBSRLPFUADNX-UHFFFAOYSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336772
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
2-(cyclopentylamino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109322092
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
5-N-ethyl-5-N-(3-methylphenyl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105164
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327446) is N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(NCc2ccccc2C)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is WKHBSRLPFUADNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-5-27(20-12-8-9-16(2)13-20)22(28)21-14-18(4)25-23(26-21)24-15-19-11-7-6-10-17(19)3/h6-14H,5,15H2,1-4H3,(H,24,25,26).
What are the key properties of N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).