6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

C20H19FN4O — CID 109347632

IUPAC6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(NCc2ccccc2F)ncn1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-14(15-7-3-2-4-8-15)25-20(26)18-11-19(24-13-23-18)22-12-16-9-5-6-10-17(16)21/h2-11,13-14H,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySVDFOKBTXJZWAX-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.72
Rot. Bonds6

About 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide

6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109347632) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109347632
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCC(NC(=O)c1cc(NCc2ccccc2F)ncn1)c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-14(15-7-3-2-4-8-15)25-20(26)18-11-19(24-13-23-18)22-12-16-9-5-6-10-17(16)21/h2-11,13-14H,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySVDFOKBTXJZWAX-UHFFFAOYSA-N
XLogP3.72
TPSA66.91 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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109347642
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-(butylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109339831
N-(1-phenylethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338660
N-(3,5-dimethylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348061
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
N-(3-chloro-4-methylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348081
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
N-(2-tert-butylphenyl)-6-[(2-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348071
6-[(2-fluorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348017
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188857

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109347632) is 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is CC(NC(=O)c1cc(NCc2ccccc2F)ncn1)c1ccccc1.
What is the InChIKey of 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is SVDFOKBTXJZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14(15-7-3-2-4-8-15)25-20(26)18-11-19(24-13-23-18)22-12-16-9-5-6-10-17(16)21/h2-11,13-14H,12H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide?
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109347632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).