formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C9H13N3O2S — CID 145329752

IUPACformamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC.Cc1cc2c(=O)[nH]cnc2s1.NC=O
InChIInChI=1S/C7H6N2OS.CH3NO.CH4/c1-4-2-5-6(10)8-3-9-7(5)11-4;2-1-3;/h2-3H,1H3,(H,8,9,10);1H,(H2,2,3);1H4
InChIKeyBDDJWXVGHNERJY-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.03
Rot. Bonds

About formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 145329752) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Nameformamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID145329752
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Nameformamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC.Cc1cc2c(=O)[nH]cnc2s1.NC=O
InChIInChI=1S/C7H6N2OS.CH3NO.CH4/c1-4-2-5-6(10)8-3-9-7(5)11-4;2-1-3;/h2-3H,1H3,(H,8,9,10);1H,(H2,2,3);1H4
InChIKeyBDDJWXVGHNERJY-UHFFFAOYSA-N
XLogP1.03
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 145329752) is formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is C.Cc1cc2c(=O)[nH]cnc2s1.NC=O.
What is the InChIKey of formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BDDJWXVGHNERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS.CH3NO.CH4/c1-4-2-5-6(10)8-3-9-7(5)11-4;2-1-3;/h2-3H,1H3,(H,8,9,10);1H,(H2,2,3);1H4.
What are the key properties of formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 227.29 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;methane;6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).