N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine

C14H10FN3O — CID 3234416

IUPACN-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ccnc(-c3ccoc3)n2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)17-13-5-7-16-14(18-13)10-6-8-19-9-10/h1-9H,(H,16,17,18)
InChIKeyJPPFHOCRTNSIJF-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.62
Rot. Bonds3

About N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine

N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3234416) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine
PubChem CID3234416
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ccnc(-c3ccoc3)n2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)17-13-5-7-16-14(18-13)10-6-8-19-9-10/h1-9H,(H,16,17,18)
InChIKeyJPPFHOCRTNSIJF-UHFFFAOYSA-N
XLogP3.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[2,6-Difluoro-4-(furan-3-yl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 162510844
2-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232637
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-(4-fluorophenyl)-2-(furan-3-yl)quinazolin-4-amine
CID 3234124
2-(furan-3-yl)-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 3234233
2-(furan-3-yl)-N-methylquinazolin-4-amine
CID 3234844
N-cyclopropyl-2-(furan-3-yl)quinazolin-4-amine
CID 3235164
N-benzyl-2-(furan-3-yl)quinazolin-4-amine
CID 3235394
4-[4-[2-(2,2-Dimethylpropylamino)-2-oxoethyl]anilino]-2-(furan-3-yl)pyrimidine-5-carboxamide
CID 72697584
4-(2,5-dimethylfuran-3-yl)-N-phenylpyrimidin-2-amine
CID 14346996

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine (CID 3234416) is N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine is Fc1ccc(Nc2ccnc(-c3ccoc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is JPPFHOCRTNSIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)17-13-5-7-16-14(18-13)10-6-8-19-9-10/h1-9H,(H,16,17,18).
What are the key properties of N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine?
N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine has a molecular weight of 255.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3234416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).