6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

C24H22N4O2 — CID 112853891

IUPAC6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-26-24(29)21-14-22(25-16-20-8-5-13-30-20)28-23(27-21)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHZWPLXINYUNNPD-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.59
Rot. Bonds7

About 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide

6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853891) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853891
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-26-24(29)21-14-22(25-16-20-8-5-13-30-20)28-23(27-21)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHZWPLXINYUNNPD-UHFFFAOYSA-N
XLogP4.59
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
6-(tert-butylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112854002
N-(furan-2-ylmethyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853104
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
6-(furan-2-ylmethylamino)-2-(3-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170124
N-tert-butyl-6-[(4-methylphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853999
6-[(4-methylphenyl)methylamino]-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851605

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide (CID 112853891) is 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(NCc3ccco3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HZWPLXINYUNNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-9-11-18(12-10-17)15-26-24(29)21-14-22(25-16-20-8-5-13-30-20)28-23(27-21)19-6-3-2-4-7-19/h2-14H,15-16H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide?
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).