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

C7H7N3OS — CID 82055604

IUPAC2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C7H7N3OS/c1-3-2-4-5(11)9-7(8)10-6(4)12-3/h2H,1H3,(H3,8,9,10,11)
InChIKeyJZPBGYVCJZLUQM-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.88
Rot. Bonds

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

2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82055604) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82055604
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)[nH]c(N)nc2s1
InChIInChI=1S/C7H7N3OS/c1-3-2-4-5(11)9-7(8)10-6(4)12-3/h2H,1H3,(H3,8,9,10,11)
InChIKeyJZPBGYVCJZLUQM-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 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 82055604) is 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)[nH]c(N)nc2s1.
What is the InChIKey of 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JZPBGYVCJZLUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-2-4-5(11)9-7(8)10-6(4)12-3/h2H,1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-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 2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82055604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).