4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine

C16H15N3O2S — CID 75359777

IUPAC4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O2S/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)
InChIKeyPBWNSFDPQMILLD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.47
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine

4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine (PubChem CID 75359777) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
PubChem CID75359777
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine
SMILESCOc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1
InChIInChI=1S/C16H15N3O2S/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)
InChIKeyPBWNSFDPQMILLD-UHFFFAOYSA-N
XLogP3.47
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.47
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-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine (CID 75359777) is 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine is COc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is PBWNSFDPQMILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/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-thiophen-2-ylpyrimidin-2-amine?
4-(2,5-dimethoxyphenyl)-6-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 313.38 g/mol, XLogP of 3.47, 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-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 75359777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).