2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide

C20H19FN4O — CID 138674577

IUPAC2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C20H19FN4O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)4-3-11-23-19(26)16-12-24-20(22)25-13-16/h1-2,5-10,12-13H,3-4,11H2,(H,23,26)(H2,22,24,25)
InChIKeyOGVSEZKPOBNWAN-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.23
Rot. Bonds6

About 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide

2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide (PubChem CID 138674577) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
PubChem CID138674577
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide
SMILESNc1ncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C20H19FN4O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)4-3-11-23-19(26)16-12-24-20(22)25-13-16/h1-2,5-10,12-13H,3-4,11H2,(H,23,26)(H2,22,24,25)
InChIKeyOGVSEZKPOBNWAN-UHFFFAOYSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.23
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-[3-[4-(2-fluorophenyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674359
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methylpyridine-3-carboxamide
CID 138674657
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 138674443
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2,3-dihydro-1H-benzotriazole-5-carboxamide
CID 176943782
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-indole-5-carboxamide
CID 138674551
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 138674482
6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 63972769
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
5-(2-fluorophenyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 46033116
N-[3-[4-(6-amino-3-pyridinyl)phenyl]propyl]-6-methylpyridine-3-carboxamide
CID 138674391
N-[2-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylethyl]benzamide
CID 90313750

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide (CID 138674577) is 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide is Nc1ncc(C(=O)NCCCc2ccc(-c3ccccc3F)cc2)cn1.
What is the InChIKey of 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide?
The InChIKey is OGVSEZKPOBNWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)4-3-11-23-19(26)16-12-24-20(22)25-13-16/h1-2,5-10,12-13H,3-4,11H2,(H,23,26)(H2,22,24,25).
What are the key properties of 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide?
2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[4-(2-fluorophenyl)phenyl]propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 138674577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).