2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide

C23H26N4O — CID 112851285

IUPAC2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-15-24-21-17-20(26-22(27-21)19-13-7-4-8-14-19)23(28)25-16-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZTHBCPAZXDNCLW-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.33
Rot. Bonds9

About 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide

2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 112851285) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID112851285
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-2-15-24-21-17-20(26-22(27-21)19-13-7-4-8-14-19)23(28)25-16-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZTHBCPAZXDNCLW-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
N-(3-acetamidophenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851324

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide (CID 112851285) is 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)NCCCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is ZTHBCPAZXDNCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-15-24-21-17-20(26-22(27-21)19-13-7-4-8-14-19)23(28)25-16-9-12-18-10-5-3-6-11-18/h3-8,10-11,13-14,17H,2,9,12,15-16H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide?
2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-phenylpropyl)-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).