4-(furan-2-yl)-5-phenylpyrimidin-2-amine

C14H11N3O — CID 134140522

IUPAC4-(furan-2-yl)-5-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(-c2ccco2)n1
InChIInChI=1S/C14H11N3O/c15-14-16-9-11(10-5-2-1-3-6-10)13(17-14)12-7-4-8-18-12/h1-9H,(H2,15,16,17)
InChIKeySAWJQCBLHCBENI-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.99
Rot. Bonds2

About 4-(furan-2-yl)-5-phenylpyrimidin-2-amine

4-(furan-2-yl)-5-phenylpyrimidin-2-amine (PubChem CID 134140522) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-5-phenylpyrimidin-2-amine
PubChem CID134140522
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name4-(furan-2-yl)-5-phenylpyrimidin-2-amine
SMILESNc1ncc(-c2ccccc2)c(-c2ccco2)n1
InChIInChI=1S/C14H11N3O/c15-14-16-9-11(10-5-2-1-3-6-10)13(17-14)12-7-4-8-18-12/h1-9H,(H2,15,16,17)
InChIKeySAWJQCBLHCBENI-UHFFFAOYSA-N
XLogP2.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-phenylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-5-phenylpyrimidin-2-amine (CID 134140522) is 4-(furan-2-yl)-5-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-5-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-5-phenylpyrimidin-2-amine is Nc1ncc(-c2ccccc2)c(-c2ccco2)n1.
What is the InChIKey of 4-(furan-2-yl)-5-phenylpyrimidin-2-amine?
The InChIKey is SAWJQCBLHCBENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14-16-9-11(10-5-2-1-3-6-10)13(17-14)12-7-4-8-18-12/h1-9H,(H2,15,16,17).
What are the key properties of 4-(furan-2-yl)-5-phenylpyrimidin-2-amine?
4-(furan-2-yl)-5-phenylpyrimidin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-phenylpyrimidin-2-amine is sourced from PubChem (CID 134140522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).