3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one

C11H16N2O2 — CID 102735163

IUPAC3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n([C@H]2CCC[C@@H]2O)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-7-6-11(15)13(8(2)12-7)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyMCJSMDSUMRUSGW-UWVGGRQHSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds1

About 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one

3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 102735163) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one
PubChem CID102735163
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n([C@H]2CCC[C@@H]2O)c(C)n1
InChIInChI=1S/C11H16N2O2/c1-7-6-11(15)13(8(2)12-7)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyMCJSMDSUMRUSGW-UWVGGRQHSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63769031
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CID 63769040
CID 63769040
CID 63769738
CID 63769738
CID 63769897
CID 63769897
CID 63770600
CID 63770600
CID 63905588
CID 63905588
CID 78950752
CID 78950752
CID 80449188
CID 80449188
CID 102735100
CID 102735100

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one (CID 102735163) is 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n([C@H]2CCC[C@@H]2O)c(C)n1.
What is the InChIKey of 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is MCJSMDSUMRUSGW-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-11(15)13(8(2)12-7)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one?
3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-hydroxycyclopentyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 102735163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).