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

C12H13N3OS — CID 137177360

IUPAC2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cccs1)C2
InChIInChI=1S/C12H13N3OS/c1-8-13-11-7-15(5-9-3-2-4-17-9)6-10(11)12(16)14-8/h2-4H,5-7H2,1H3,(H,13,14,16)
InChIKeyOLELRUMYBZGBHE-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.66
Rot. Bonds2

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

2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 137177360) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID137177360
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cccs1)C2
InChIInChI=1S/C12H13N3OS/c1-8-13-11-7-15(5-9-3-2-4-17-9)6-10(11)12(16)14-8/h2-4H,5-7H2,1H3,(H,13,14,16)
InChIKeyOLELRUMYBZGBHE-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154786059
2-morpholin-4-yl-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719804
2-methyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861454
7-[(4-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866522
2-methyl-7-[(2-methylsulfanylphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864862
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
2-[(3S)-1-propan-2-ylsulfonylpiperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891310
2-[(3S)-1-[(2R)-2-methylbutanoyl]piperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892056
2-[1-(2-methylbutanoyl)piperidin-3-yl]-6-(thiophen-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796206
2-[(2R)-1-(4-methylbenzoyl)piperidin-2-yl]-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860774
6-[(2,6-dimethylphenyl)methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 137177360) is 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1cccs1)C2.
What is the InChIKey of 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OLELRUMYBZGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-13-11-7-15(5-9-3-2-4-17-9)6-10(11)12(16)14-8/h2-4H,5-7H2,1H3,(H,13,14,16).
What are the key properties of 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(thiophen-2-ylmethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137177360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).