2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C10H13N3OS2 — CID 82146504

IUPAC2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(SCCCN)nc2s1
InChIInChI=1S/C10H13N3OS2/c1-6-5-7-8(14)12-10(13-9(7)16-6)15-4-2-3-11/h5H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyHWKFDQNGYUSZPM-UHFFFAOYSA-N
MW255.37 g/mol
LogP1.73
Rot. Bonds4

About 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82146504) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82146504
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(SCCCN)nc2s1
InChIInChI=1S/C10H13N3OS2/c1-6-5-7-8(14)12-10(13-9(7)16-6)15-4-2-3-11/h5H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyHWKFDQNGYUSZPM-UHFFFAOYSA-N
XLogP1.73
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropylsulfanyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146503
5-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentanoic acid
CID 82147496
2-[2-(2-aminoethoxy)ethylsulfanyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146862
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
2-(2-aminoethylsulfanyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146468
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
2-(2-amino-2-ethylbutyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 94751732
2-(ethylamino)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331621
2-(1-hydroxyethyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 166120129
2-(3-aminopropylsulfanyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136923310
2-benzhydryl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82096845
6-methyl-2-(propylamino)-3H-thieno[2,3-d]pyrimidin-4-one
CID 103331625

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 82146504) is 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(SCCCN)nc2s1.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HWKFDQNGYUSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-6-5-7-8(14)12-10(13-9(7)16-6)15-4-2-3-11/h5H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 255.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82146504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).