4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one

C7H7N3OS — CID 25152004

IUPAC4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one
SMILESCc1cc2[nH]c(=O)nc(N)c2s1
InChIInChI=1S/C7H7N3OS/c1-3-2-4-5(12-3)6(8)10-7(11)9-4/h2H,1H3,(H3,8,9,10,11)
InChIKeyFTLIQCBAOJBSDY-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.88
Rot. Bonds

About 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one

4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one (PubChem CID 25152004) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one
PubChem CID25152004
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one
SMILESCc1cc2[nH]c(=O)nc(N)c2s1
InChIInChI=1S/C7H7N3OS/c1-3-2-4-5(12-3)6(8)10-7(11)9-4/h2H,1H3,(H3,8,9,10,11)
InChIKeyFTLIQCBAOJBSDY-UHFFFAOYSA-N
XLogP0.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one (CID 25152004) is 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one is Cc1cc2[nH]c(=O)nc(N)c2s1.
What is the InChIKey of 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one?
The InChIKey is FTLIQCBAOJBSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-2-4-5(12-3)6(8)10-7(11)9-4/h2H,1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one?
4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one has a molecular weight of 181.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-1H-thieno[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 25152004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).