2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one

C16H20N2O4 — CID 137223238

IUPAC2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
SMILESCCCCc1nc(O)cc(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C16H20N2O4/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(21-2)7-6-8-12(16)22-3/h6-8,10,19H,4-5,9H2,1-3H3
InChIKeyYFELJZCNHDJWEW-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.30
Rot. Bonds6

About 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one

2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one (PubChem CID 137223238) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
PubChem CID137223238
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one
SMILESCCCCc1nc(O)cc(=O)n1-c1c(OC)cccc1OC
InChIInChI=1S/C16H20N2O4/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(21-2)7-6-8-12(16)22-3/h6-8,10,19H,4-5,9H2,1-3H3
InChIKeyYFELJZCNHDJWEW-UHFFFAOYSA-N
XLogP2.30
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one?
The IUPAC name of 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one (CID 137223238) is 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one?
The canonical SMILES for 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one is CCCCc1nc(O)cc(=O)n1-c1c(OC)cccc1OC.
What is the InChIKey of 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one?
The InChIKey is YFELJZCNHDJWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-5-9-13-17-14(19)10-15(20)18(13)16-11(21-2)7-6-8-12(16)22-3/h6-8,10,19H,4-5,9H2,1-3H3.
What are the key properties of 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one?
2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one has a molecular weight of 304.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-(2,6-dimethoxyphenyl)-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 137223238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).