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

C15H21N3S — CID 114739584

IUPAC2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CCC(SCc2nc3c(c(C4CC4)n2)CNC3)C1
InChIInChI=1S/C15H21N3S/c1-2-4-11(3-1)19-9-14-17-13-8-16-7-12(13)15(18-14)10-5-6-10/h10-11,16H,1-9H2
InChIKeyAMYOWEDIJWMMID-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.13
Rot. Bonds4

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

2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739584) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739584
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CCC(SCc2nc3c(c(C4CC4)n2)CNC3)C1
InChIInChI=1S/C15H21N3S/c1-2-4-11(3-1)19-9-14-17-13-8-16-7-12(13)15(18-14)10-5-6-10/h10-11,16H,1-9H2
InChIKeyAMYOWEDIJWMMID-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739773
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929704
2-(cyclohexylsulfanylmethyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 66302987
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidin-5-amine
CID 114207246
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738325
2-(cyclopentylsulfanylmethyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 65140931
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
2-(cyclohexylsulfanylmethyl)-6-cyclopropylpyrimidin-4-amine
CID 65144022
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739584) is 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is C1CCC(SCc2nc3c(c(C4CC4)n2)CNC3)C1.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is AMYOWEDIJWMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-4-11(3-1)19-9-14-17-13-8-16-7-12(13)15(18-14)10-5-6-10/h10-11,16H,1-9H2.
What are the key properties of 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 275.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).