N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

C20H19FN4O — CID 109353538

IUPACN-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C20H19FN4O/c21-16-8-10-17(11-9-16)25-20(26)18-13-19(24-14-23-18)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24)
InChIKeyFHBDQAFZDDZYAJ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.91
Rot. Bonds7

About N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (PubChem CID 109353538) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
PubChem CID109353538
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC NameN-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C20H19FN4O/c21-16-8-10-17(11-9-16)25-20(26)18-13-19(24-14-23-18)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24)
InChIKeyFHBDQAFZDDZYAJ-UHFFFAOYSA-N
XLogP3.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.91
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-(4-cyanophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353572
6-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109353551
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351026
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050
N-(2,3-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353533
N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-[(4-chlorophenyl)methyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109348771
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide (CID 109353538) is N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
The InChIKey is FHBDQAFZDDZYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-8-10-17(11-9-16)25-20(26)18-13-19(24-14-23-18)22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).