4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine

C16H15N3O3 — CID 75359770

IUPAC4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O3/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(19-16(17)18-12)15-4-3-7-22-15/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXSWYDQWXWNYEFB-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.00
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine

4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine (PubChem CID 75359770) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
PubChem CID75359770
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3ccco3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O3/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(19-16(17)18-12)15-4-3-7-22-15/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyXSWYDQWXWNYEFB-UHFFFAOYSA-N
XLogP3.00
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine (CID 75359770) is 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine is COc1ccc(OC)c(-c2cc(-c3ccco3)nc(N)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine?
The InChIKey is XSWYDQWXWNYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(19-16(17)18-12)15-4-3-7-22-15/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine?
4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine has a molecular weight of 297.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-6-(furan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75359770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).