4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C10H13N3S — CID 164647207

IUPAC4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(C2CSC2)nc2c1CNC2
InChIInChI=1S/C10H13N3S/c1-6-8-2-11-3-9(8)13-10(12-6)7-4-14-5-7/h7,11H,2-5H2,1H3
InChIKeyOWXUNAQSZHICBL-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.22
Rot. Bonds1

About 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 164647207) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID164647207
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCc1nc(C2CSC2)nc2c1CNC2
InChIInChI=1S/C10H13N3S/c1-6-8-2-11-3-9(8)13-10(12-6)7-4-14-5-7/h7,11H,2-5H2,1H3
InChIKeyOWXUNAQSZHICBL-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine 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-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
4-methyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742289
4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740210
5-methoxy-6-methyl-2-(thietan-3-yl)pyrimidin-4-amine
CID 164644558
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742288
4-methoxy-2-piperidin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115040233
2-(2-methoxypropyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740071
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398
2-(azepan-1-yl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740020
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
[5-fluoro-6-methyl-2-(thietan-3-yl)pyrimidin-4-yl]hydrazine
CID 164647254

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 164647207) is 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Cc1nc(C2CSC2)nc2c1CNC2.
What is the InChIKey of 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is OWXUNAQSZHICBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-8-2-11-3-9(8)13-10(12-6)7-4-14-5-7/h7,11H,2-5H2,1H3.
What are the key properties of 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 207.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(thietan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 164647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).