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

C17H25N3 — CID 114739789

IUPAC2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CCCC(c2nc3c(c(C4CC4)n2)CNC3)CCC1
InChIInChI=1S/C17H25N3/c1-2-4-6-13(7-5-3-1)17-19-15-11-18-10-14(15)16(20-17)12-8-9-12/h12-13,18H,1-11H2
InChIKeyWDYXIUSOUYTMIF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.79
Rot. Bonds2

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

2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114739789) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114739789
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESC1CCCC(c2nc3c(c(C4CC4)n2)CNC3)CCC1
InChIInChI=1S/C17H25N3/c1-2-4-6-13(7-5-3-1)17-19-15-11-18-10-14(15)16(20-17)12-8-9-12/h12-13,18H,1-11H2
InChIKeyWDYXIUSOUYTMIF-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739672
4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739614
4-cyclobutyl-2-methoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
CID 171808723
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739584
4-cyclopropyl-2-(1-methoxycyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739792
2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114739789) is 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is C1CCCC(c2nc3c(c(C4CC4)n2)CNC3)CCC1.
What is the InChIKey of 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is WDYXIUSOUYTMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-4-6-13(7-5-3-1)17-19-15-11-18-10-14(15)16(20-17)12-8-9-12/h12-13,18H,1-11H2.
What are the key properties of 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 271.41 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114739789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).