4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one

C16H14N2O3S — CID 139229496

IUPAC4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESCOc1ccc(OC)c(-c2cc(-c3cccs3)[nH]c(=O)n2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(18-16(19)17-12)15-4-3-7-22-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCWHUJLBXFASDLY-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.18
Rot. Bonds4

About 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one

4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one (PubChem CID 139229496) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
PubChem CID139229496
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
SMILESCOc1ccc(OC)c(-c2cc(-c3cccs3)[nH]c(=O)n2)c1
InChIInChI=1S/C16H14N2O3S/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(18-16(19)17-12)15-4-3-7-22-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyCWHUJLBXFASDLY-UHFFFAOYSA-N
XLogP3.18
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one (CID 139229496) is 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one is COc1ccc(OC)c(-c2cc(-c3cccs3)[nH]c(=O)n2)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
The InChIKey is CWHUJLBXFASDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-10-5-6-14(21-2)11(8-10)12-9-13(18-16(19)17-12)15-4-3-7-22-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one?
4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one has a molecular weight of 314.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 139229496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).