4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

C16H15N3O2 — CID 75359930

IUPAC4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O2/c1-10-6-7-15(21-10)14-9-13(18-16(17)19-14)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyGRBUZKPUGSSELJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.30
Rot. Bonds3

About 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 75359930) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID75359930
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCOc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O2/c1-10-6-7-15(21-10)14-9-13(18-16(17)19-14)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyGRBUZKPUGSSELJ-UHFFFAOYSA-N
XLogP3.30
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 75359930) is 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is GRBUZKPUGSSELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-6-7-15(21-10)14-9-13(18-16(17)19-14)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 281.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75359930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).