2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C15H14N4O2S — CID 136563118

IUPAC2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ncc(-c3cccs3)o1)C2
InChIInChI=1S/C15H14N4O2S/c1-9-17-11-7-19(6-10(11)15(20)18-9)8-14-16-5-12(21-14)13-3-2-4-22-13/h2-5H,6-8H2,1H3,(H,17,18,20)
InChIKeyVILAGKFQHVDBEC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136563118) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136563118
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1ncc(-c3cccs3)o1)C2
InChIInChI=1S/C15H14N4O2S/c1-9-17-11-7-19(6-10(11)15(20)18-9)8-14-16-5-12(21-14)13-3-2-4-22-13/h2-5H,6-8H2,1H3,(H,17,18,20)
InChIKeyVILAGKFQHVDBEC-UHFFFAOYSA-N
XLogP2.31
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-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

Related Compounds

2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137177360
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
CID 126784426
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
2-methyl-6-(1,3-oxazol-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944799
7-[(4-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866522
6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154786059
2-amino-6-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947498
2-[[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methyl]-5-thiophen-2-yl-1,3-oxazole
CID 86953341
6-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917365
6-[(5-methyl-3-pyridinyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947850
6-[(3-methylimidazol-4-yl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861569
6-[[5-(4-methylphenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 136563118) is 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1ncc(-c3cccs3)o1)C2.
What is the InChIKey of 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is VILAGKFQHVDBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-17-11-7-19(6-10(11)15(20)18-9)8-14-16-5-12(21-14)13-3-2-4-22-13/h2-5H,6-8H2,1H3,(H,17,18,20).
What are the key properties of 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 314.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).