4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C11H15N3S — CID 114739773

IUPAC4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCSCc1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C11H15N3S/c1-15-6-10-13-9-5-12-4-8(9)11(14-10)7-2-3-7/h7,12H,2-6H2,1H3
InChIKeyJIRIRBHKVXNPBZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.82
Rot. Bonds3

About 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739773) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739773
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESCSCc1nc2c(c(C3CC3)n1)CNC2
InChIInChI=1S/C11H15N3S/c1-15-6-10-13-9-5-12-4-8(9)11(14-10)7-2-3-7/h7,12H,2-6H2,1H3
InChIKeyJIRIRBHKVXNPBZ-UHFFFAOYSA-N
XLogP1.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739584
4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929704
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739764
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739677
2-(4-chlorophenyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739651
4-cyclopropyl-2-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739621

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739773) is 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is CSCc1nc2c(c(C3CC3)n1)CNC2.
What is the InChIKey of 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is JIRIRBHKVXNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-15-6-10-13-9-5-12-4-8(9)11(14-10)7-2-3-7/h7,12H,2-6H2,1H3.
What are the key properties of 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 221.33 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).