4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride

C11H16ClN3O — CID 171808723

IUPAC4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCOc1nc2c(c(C3CCC3)n1)CNC2.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-15-11-13-9-6-12-5-8(9)10(14-11)7-3-2-4-7;/h7,12H,2-6H2,1H3;1H
InChIKeyJKPKIPWMGHVSIK-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.78
Rot. Bonds2

About 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride

4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (PubChem CID 171808723) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
PubChem CID171808723
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
SMILESCOc1nc2c(c(C3CCC3)n1)CNC2.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-15-11-13-9-6-12-5-8(9)10(14-11)7-3-2-4-7;/h7,12H,2-6H2,1H3;1H
InChIKeyJKPKIPWMGHVSIK-UHFFFAOYSA-N
XLogP1.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739677
4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739647
6-cyclobutyl-2-methoxy-5-methylpyrimidin-4-amine
CID 83847307
4-cyclopropyl-2-[2-(2-methoxyethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 102929704
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-(methylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739773
(4-cyclobutyl-2,6-dimethoxypyrimidin-5-yl)methanamine
CID 105480566

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride (CID 171808723) is 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is COc1nc2c(c(C3CCC3)n1)CNC2.Cl.
What is the InChIKey of 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
The InChIKey is JKPKIPWMGHVSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-15-11-13-9-6-12-5-8(9)10(14-11)7-3-2-4-7;/h7,12H,2-6H2,1H3;1H.
What are the key properties of 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride?
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 171808723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).