N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine

C14H10FN3O — CID 3233619

IUPACN-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)18-14-13(7-16-9-17-14)10-5-6-19-8-10/h1-9H,(H,16,17,18)
InChIKeyQPGCLYSQGXPVRV-UHFFFAOYSA-N
MW255.25 g/mol
LogP3.62
Rot. Bonds3

About N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine

N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine (PubChem CID 3233619) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
PubChem CID3233619
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC NameN-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
SMILESFc1ccc(Nc2ncncc2-c2ccoc2)cc1
InChIInChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)18-14-13(7-16-9-17-14)10-5-6-19-8-10/h1-9H,(H,16,17,18)
InChIKeyQPGCLYSQGXPVRV-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine (CID 3233619) is N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine is Fc1ccc(Nc2ncncc2-c2ccoc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine?
The InChIKey is QPGCLYSQGXPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-1-3-12(4-2-11)18-14-13(7-16-9-17-14)10-5-6-19-8-10/h1-9H,(H,16,17,18).
What are the key properties of N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine?
N-(4-fluorophenyl)-5-(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)-5-(furan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 3233619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).