4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C19H29N5O2 — CID 56910021

IUPAC4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC1CCC(c2nc3c(c(N4CCOC5(CNCCOC5)C4)n2)CNC3)C1
InChIInChI=1S/C19H29N5O2/c1-2-4-14(3-1)17-22-16-10-21-9-15(16)18(23-17)24-6-8-26-19(12-24)11-20-5-7-25-13-19/h14,20-21H,1-13H2
InChIKeyLPJMMBNEDDPNQJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.93
Rot. Bonds2

About 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 56910021) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID56910021
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC1CCC(c2nc3c(c(N4CCOC5(CNCCOC5)C4)n2)CNC3)C1
InChIInChI=1S/C19H29N5O2/c1-2-4-14(3-1)17-22-16-10-21-9-15(16)18(23-17)24-6-8-26-19(12-24)11-20-5-7-25-13-19/h14,20-21H,1-13H2
InChIKeyLPJMMBNEDDPNQJ-UHFFFAOYSA-N
XLogP0.93
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 56910021) is 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is C1CCC(c2nc3c(c(N4CCOC5(CNCCOC5)C4)n2)CNC3)C1.
What is the InChIKey of 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is LPJMMBNEDDPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-2-4-14(3-1)17-22-16-10-21-9-15(16)18(23-17)24-6-8-26-19(12-24)11-20-5-7-25-13-19/h14,20-21H,1-13H2.
What are the key properties of 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 359.47 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 56910021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).