2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one

C11H16N2O2 — CID 102173263

IUPAC2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc([C@H]2CCCC[C@@H]2CO)[nH]1
InChIInChI=1S/C11H16N2O2/c14-7-8-3-1-2-4-9(8)11-12-6-5-10(15)13-11/h5-6,8-9,14H,1-4,7H2,(H,12,13,15)/t8-,9+/m1/s1
InChIKeyNGVNHYZKXUXWQZ-BDAKNGLRSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds2

About 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one

2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one (PubChem CID 102173263) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
PubChem CID102173263
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
SMILESO=c1ccnc([C@H]2CCCC[C@@H]2CO)[nH]1
InChIInChI=1S/C11H16N2O2/c14-7-8-3-1-2-4-9(8)11-12-6-5-10(15)13-11/h5-6,8-9,14H,1-4,7H2,(H,12,13,15)/t8-,9+/m1/s1
InChIKeyNGVNHYZKXUXWQZ-BDAKNGLRSA-N
XLogP1.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-hydroxyheptyl)-1H-pyrimidin-6-one
CID 166950074
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173258
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173259
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-ethyl-1H-pyrimidin-6-one
CID 114586521
4-[[2-(aminomethyl)cyclohexyl]methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 114586523
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956878
2-ethyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136976195
2-cyclopropyl-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136976197
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976199

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one (CID 102173263) is 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one is O=c1ccnc([C@H]2CCCC[C@@H]2CO)[nH]1.
What is the InChIKey of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one?
The InChIKey is NGVNHYZKXUXWQZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-7-8-3-1-2-4-9(8)11-12-6-5-10(15)13-11/h5-6,8-9,14H,1-4,7H2,(H,12,13,15)/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one?
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102173263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).