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

C15H13N3O2 — CID 14347092

IUPAC4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O2/c1-19-12-5-2-4-11(10-12)17-15-16-8-7-13(18-15)14-6-3-9-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeyPMMHSNYKCHHMQT-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.49
Rot. Bonds4

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

4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 14347092) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID14347092
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-c3ccco3)n2)c1
InChIInChI=1S/C15H13N3O2/c1-19-12-5-2-4-11(10-12)17-15-16-8-7-13(18-15)14-6-3-9-20-14/h2-10H,1H3,(H,16,17,18)
InChIKeyPMMHSNYKCHHMQT-UHFFFAOYSA-N
XLogP3.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine (CID 14347092) is 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-c3ccco3)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is PMMHSNYKCHHMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-12-5-2-4-11(10-12)17-15-16-8-7-13(18-15)14-6-3-9-20-14/h2-10H,1H3,(H,16,17,18).
What are the key properties of 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 14347092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).