2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 102173259

IUPAC2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc([C@H]2CCCC[C@@H]2CO)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8-6-13-11(14-12(8)16)10-5-3-2-4-9(10)7-15/h6,9-10,15H,2-5,7H2,1H3,(H,13,14,16)/t9-,10+/m1/s1
InChIKeyNKTJCOLRLBMPBH-ZJUUUORDSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds2

About 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one

2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 102173259) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID102173259
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc([C@H]2CCCC[C@@H]2CO)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-8-6-13-11(14-12(8)16)10-5-3-2-4-9(10)7-15/h6,9-10,15H,2-5,7H2,1H3,(H,13,14,16)/t9-,10+/m1/s1
InChIKeyNKTJCOLRLBMPBH-ZJUUUORDSA-N
XLogP1.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173258
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173262
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one
CID 102173263
5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
CID 114204924
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
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]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one (CID 102173259) is 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one is Cc1cnc([C@H]2CCCC[C@@H]2CO)[nH]c1=O.
What is the InChIKey of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NKTJCOLRLBMPBH-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-13-11(14-12(8)16)10-5-3-2-4-9(10)7-15/h6,9-10,15H,2-5,7H2,1H3,(H,13,14,16)/t9-,10+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one?
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.34, 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]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102173259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).