2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one

C10H12N2OS2 — CID 18434022

IUPAC2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(SC)nc2sccc2c1=O
InChIInChI=1S/C10H12N2OS2/c1-3-5-12-9(13)7-4-6-15-8(7)11-10(12)14-2/h4,6H,3,5H2,1-2H3
InChIKeyHPSIHHXZIORIJX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.59
Rot. Bonds3

About 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one

2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 18434022) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID18434022
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1c(SC)nc2sccc2c1=O
InChIInChI=1S/C10H12N2OS2/c1-3-5-12-9(13)7-4-6-15-8(7)11-10(12)14-2/h4,6H,3,5H2,1-2H3
InChIKeyHPSIHHXZIORIJX-UHFFFAOYSA-N
XLogP2.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 8001799
3-methyl-2-(2-methylpropylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 2495122
2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525841
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
CID 112777915
N,N-diethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 78764090
N-(2-fluorophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772809
3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 62882605
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 103336601
2-[3-(cyclopropylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525520
N-ethyl-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylprop-2-enyl)acetamide
CID 78764101
3-(3-methylbutyl)-2-methylsulfanylquinazolin-4-one
CID 84603727

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one (CID 18434022) is 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1c(SC)nc2sccc2c1=O.
What is the InChIKey of 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is HPSIHHXZIORIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-3-5-12-9(13)7-4-6-15-8(7)11-10(12)14-2/h4,6H,3,5H2,1-2H3.
What are the key properties of 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one?
2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 240.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18434022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).