8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C14H19N3O — CID 55237219

IUPAC8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncnc2c1CCC2
InChIInChI=1S/C14H19N3O/c18-11-6-9-4-5-10(7-11)17(9)14-12-2-1-3-13(12)15-8-16-14/h8-11,18H,1-7H2
InChIKeyNWEBFUQIGQSLPO-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.46
Rot. Bonds1

About 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237219) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237219
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncnc2c1CCC2
InChIInChI=1S/C14H19N3O/c18-11-6-9-4-5-10(7-11)17(9)14-12-2-1-3-13(12)15-8-16-14/h8-11,18H,1-7H2
InChIKeyNWEBFUQIGQSLPO-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55237219) is 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncnc2c1CCC2.
What is the InChIKey of 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is NWEBFUQIGQSLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-11-6-9-4-5-10(7-11)17(9)14-12-2-1-3-13(12)15-8-16-14/h8-11,18H,1-7H2.
What are the key properties of 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 245.33 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).