2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

C23H26N4O — CID 109369078

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-15(2)19-9-11-20(12-10-19)27-22-13-21(25-17(4)26-22)23(28)24-14-18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyCTBYSGOKVDOQMO-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.89
Rot. Bonds6

About 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide

2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109369078) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109369078
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-15(2)19-9-11-20(12-10-19)27-22-13-21(25-17(4)26-22)23(28)24-14-18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27)
InChIKeyCTBYSGOKVDOQMO-UHFFFAOYSA-N
XLogP4.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368662
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368150
N-[(4-chlorophenyl)methyl]-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109370177
6-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-[(4-chlorophenyl)methyl]-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360404

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109369078) is 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3ccc(C(C)C)cc3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is CTBYSGOKVDOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15(2)19-9-11-20(12-10-19)27-22-13-21(25-17(4)26-22)23(28)24-14-18-7-5-16(3)6-8-18/h5-13,15H,14H2,1-4H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide?
2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).