6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one

C12H14N2O3S — CID 19245001

IUPAC6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCCO)c(=O)c2c1C
InChIInChI=1S/C12H14N2O3S/c1-7-9-11(18-10(7)8(2)16)13-6-14(12(9)17)4-3-5-15/h6,15H,3-5H2,1-2H3
InChIKeyOLGCTSAEJGEUQP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.35
Rot. Bonds4

About 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one

6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 19245001) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID19245001
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1sc2ncn(CCCO)c(=O)c2c1C
InChIInChI=1S/C12H14N2O3S/c1-7-9-11(18-10(7)8(2)16)13-6-14(12(9)17)4-3-5-15/h6,15H,3-5H2,1-2H3
InChIKeyOLGCTSAEJGEUQP-UHFFFAOYSA-N
XLogP1.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetyl-3-hexyl-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244979
6-acetyl-3-[3-(dimethylamino)propyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244967
6-acetyl-3-(2-bromoethyl)-5-methylthieno[2,3-d]pyrimidin-4-one
CID 19244986
6-acetyl-5-methyl-3-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidin-4-one
CID 19244973
3-(2-cyanoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 39159078
3-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 1093547
3-(2-amino-2-oxoethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23410239
5-methyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23411315
11-(3-hydroxypropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 19245035
3-[3-(dimethylamino)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 19245042
4-(3-hydroxypropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
CID 110892009
N-butan-2-yl-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23941131

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one (CID 19245001) is 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one is CC(=O)c1sc2ncn(CCCO)c(=O)c2c1C.
What is the InChIKey of 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is OLGCTSAEJGEUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7-9-11(18-10(7)8(2)16)13-6-14(12(9)17)4-3-5-15/h6,15H,3-5H2,1-2H3.
What are the key properties of 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one?
6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 266.32 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-(3-hydroxypropyl)-5-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19245001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).