7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

C13H12N4O2S — CID 135891005

IUPAC7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(=O)[nH]c(Cn2cnc3c(C)csc3c2=O)n1
InChIInChI=1S/C13H12N4O2S/c1-7-5-20-12-11(7)14-6-17(13(12)19)4-9-15-8(2)3-10(18)16-9/h3,5-6H,4H2,1-2H3,(H,15,16,18)
InChIKeyJGVWWDCFMJWLFK-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.21
Rot. Bonds2

About 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one

7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 135891005) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID135891005
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1cc(=O)[nH]c(Cn2cnc3c(C)csc3c2=O)n1
InChIInChI=1S/C13H12N4O2S/c1-7-5-20-12-11(7)14-6-17(13(12)19)4-9-15-8(2)3-10(18)16-9/h3,5-6H,4H2,1-2H3,(H,15,16,18)
InChIKeyJGVWWDCFMJWLFK-UHFFFAOYSA-N
XLogP1.21
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 135891005) is 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is Cc1cc(=O)[nH]c(Cn2cnc3c(C)csc3c2=O)n1.
What is the InChIKey of 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is JGVWWDCFMJWLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-7-5-20-12-11(7)14-6-17(13(12)19)4-9-15-8(2)3-10(18)16-9/h3,5-6H,4H2,1-2H3,(H,15,16,18).
What are the key properties of 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 288.33 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).