cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol

C13H18N2O — CID 163658080

IUPACcyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol
SMILESOC(c1ncc2c(n1)CCC2)C1CCCC1
InChIInChI=1S/C13H18N2O/c16-12(9-4-1-2-5-9)13-14-8-10-6-3-7-11(10)15-13/h8-9,12,16H,1-7H2
InChIKeyIRYSTJLSKVWBOA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.19
Rot. Bonds2

About cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol

cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol (PubChem CID 163658080) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol.

Molecular Properties

Compound Namecyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol
PubChem CID163658080
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol
SMILESOC(c1ncc2c(n1)CCC2)C1CCCC1
InChIInChI=1S/C13H18N2O/c16-12(9-4-1-2-5-9)13-14-8-10-6-3-7-11(10)15-13/h8-9,12,16H,1-7H2
InChIKeyIRYSTJLSKVWBOA-UHFFFAOYSA-N
XLogP2.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol?
The IUPAC name of cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol (CID 163658080) is cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol.
What is the SMILES notation for cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol?
The canonical SMILES for cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol is OC(c1ncc2c(n1)CCC2)C1CCCC1.
What is the InChIKey of cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol?
The InChIKey is IRYSTJLSKVWBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c16-12(9-4-1-2-5-9)13-14-8-10-6-3-7-11(10)15-13/h8-9,12,16H,1-7H2.
What are the key properties of cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol?
cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)methanol is sourced from PubChem (CID 163658080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).