N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 112852236

IUPACN-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-4-15-24-21-16-20(25-22(26-21)19-13-9-6-10-14-19)23(28)27(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,25,26)
InChIKeyFRHXZNSPSAKLJX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.63
Rot. Bonds8

About N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide

N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852236) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112852236
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-3-4-15-24-21-16-20(25-22(26-21)19-13-9-6-10-14-19)23(28)27(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,25,26)
InChIKeyFRHXZNSPSAKLJX-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112853309
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
N-benzyl-6-(butylamino)-N-methylpyridine-3-carboxamide
CID 109151561
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 112851285
[6-(butylamino)-2-phenylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 112852230
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide (CID 112852236) is N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)N(C)Cc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is FRHXZNSPSAKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-4-15-24-21-16-20(25-22(26-21)19-13-9-6-10-14-19)23(28)27(2)17-18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,24,25,26).
What are the key properties of N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide?
N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(butylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).