4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine

C16H15N3O — CID 141143894

IUPAC4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESNc1nccc(CCc2cccc(-c3ccco3)c2)n1
InChIInChI=1S/C16H15N3O/c17-16-18-9-8-14(19-16)7-6-12-3-1-4-13(11-12)15-5-2-10-20-15/h1-5,8-11H,6-7H2,(H2,17,18,19)
InChIKeyBRNJQCGBGIAZLR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.10
Rot. Bonds4

About 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine

4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine (PubChem CID 141143894) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
PubChem CID141143894
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
SMILESNc1nccc(CCc2cccc(-c3ccco3)c2)n1
InChIInChI=1S/C16H15N3O/c17-16-18-9-8-14(19-16)7-6-12-3-1-4-13(11-12)15-5-2-10-20-15/h1-5,8-11H,6-7H2,(H2,17,18,19)
InChIKeyBRNJQCGBGIAZLR-UHFFFAOYSA-N
XLogP3.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine (CID 141143894) is 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine is Nc1nccc(CCc2cccc(-c3ccco3)c2)n1.
What is the InChIKey of 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
The InChIKey is BRNJQCGBGIAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16-18-9-8-14(19-16)7-6-12-3-1-4-13(11-12)15-5-2-10-20-15/h1-5,8-11H,6-7H2,(H2,17,18,19).
What are the key properties of 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine?
4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(furan-2-yl)phenyl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 141143894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).