N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

C19H16F2N4O — CID 109308419

IUPACN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C19H16F2N4O/c20-14-3-1-13(2-4-14)9-11-22-19-23-12-10-17(25-19)18(26)24-16-7-5-15(21)6-8-16/h1-8,10,12H,9,11H2,(H,24,26)(H,22,23,25)
InChIKeyPVGATRGBVHVOMF-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.66
Rot. Bonds6

About N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide

N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109308419) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
PubChem CID109308419
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C19H16F2N4O/c20-14-3-1-13(2-4-14)9-11-22-19-23-12-10-17(25-19)18(26)24-16-7-5-15(21)6-8-16/h1-8,10,12H,9,11H2,(H,24,26)(H,22,23,25)
InChIKeyPVGATRGBVHVOMF-UHFFFAOYSA-N
XLogP3.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307799
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308404
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109309712
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-[2-(4-fluorophenyl)ethylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296149
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
2-[2-(4-chlorophenyl)ethylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309781
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109294765
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109305595
N-butan-2-yl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109297311
N-[2-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299633
N-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307236

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide (CID 109308419) is N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is PVGATRGBVHVOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-3-1-13(2-4-14)9-11-22-19-23-12-10-17(25-19)18(26)24-16-7-5-15(21)6-8-16/h1-8,10,12H,9,11H2,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109308419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).