2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one

C12H12N4OS — CID 170342710

IUPAC2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one
SMILESC=C1Nc2sccc2C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C12H12N4OS/c1-8-14-11-10(3-4-18-11)12(17)16(8)7-9-5-13-15(2)6-9/h3-6,14H,1,7H2,2H3
InChIKeyQQKRIWDGQNYRIM-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.02
Rot. Bonds2

About 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one

2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 170342710) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID170342710
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one
SMILESC=C1Nc2sccc2C(=O)N1Cc1cnn(C)c1
InChIInChI=1S/C12H12N4OS/c1-8-14-11-10(3-4-18-11)12(17)16(8)7-9-5-13-15(2)6-9/h3-6,14H,1,7H2,2H3
InChIKeyQQKRIWDGQNYRIM-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one (CID 170342710) is 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one is C=C1Nc2sccc2C(=O)N1Cc1cnn(C)c1.
What is the InChIKey of 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QQKRIWDGQNYRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-14-11-10(3-4-18-11)12(17)16(8)7-9-5-13-15(2)6-9/h3-6,14H,1,7H2,2H3.
What are the key properties of 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one?
2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 260.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 170342710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).