4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine

C15H13N3O2 — CID 75358126

IUPAC4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyNUWYXYRHEIVRDS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.99
Rot. Bonds3

About 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine

4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 75358126) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID75358126
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18)
InChIKeyNUWYXYRHEIVRDS-UHFFFAOYSA-N
XLogP2.99
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.99
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)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine (CID 75358126) is 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine is COc1cccc(-c2cc(-c3ccco3)nc(N)n2)c1.
What is the InChIKey of 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is NUWYXYRHEIVRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-19-11-5-2-4-10(8-11)12-9-13(18-15(16)17-12)14-6-3-7-20-14/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine?
4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75358126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).