5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C14H12N4O — CID 3233460

IUPAC5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18)
InChIKeyUYNFBWJVKAADQH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.74
Rot. Bonds4

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

5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 3233460) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID3233460
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ncncc2-c2ccoc2)c1
InChIInChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18)
InChIKeyUYNFBWJVKAADQH-UHFFFAOYSA-N
XLogP2.74
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 3233460) is 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is c1cncc(CNc2ncncc2-c2ccoc2)c1.
What is the InChIKey of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is UYNFBWJVKAADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-11(6-15-4-1)7-17-14-13(8-16-10-18-14)12-3-5-19-9-12/h1-6,8-10H,7H2,(H,16,17,18).
What are the key properties of 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 252.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).