N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide

C23H26N4O — CID 109304481

IUPACN-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)22(28)21-13-14-24-23(26-21)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26)
InChIKeyGOORTQCUQJNFKP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.45
Rot. Bonds7

About N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109304481) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109304481
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ccc(CNc2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)cc1
InChIInChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)22(28)21-13-14-24-23(26-21)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26)
InChIKeyGOORTQCUQJNFKP-UHFFFAOYSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
N-benzyl-2-(4-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311710
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide (CID 109304481) is N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide is Cc1ccc(CNc2nccc(C(=O)N(Cc3ccccc3)C(C)C)n2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GOORTQCUQJNFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)27(16-20-7-5-4-6-8-20)22(28)21-13-14-24-23(26-21)25-15-19-11-9-18(3)10-12-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26).
What are the key properties of N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109304481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).