2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one

C12H18N2O3 — CID 116745107

IUPAC2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-17-11(8-5-3-2-4-6-8)12-13-9(15)7-10(16)14-12/h7-8,11H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyBIXNSTHJHSZXSC-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745107) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745107
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)cc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-17-11(8-5-3-2-4-6-8)12-13-9(15)7-10(16)14-12/h7-8,11H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyBIXNSTHJHSZXSC-UHFFFAOYSA-N
XLogP1.74
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963835
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641
2-ethyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240647
4-(2-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240650
2-ethyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240657
2-cyclopropyl-4-(3-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241723
4-(3-ethylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241733
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 116745107) is 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is COC(c1nc(O)cc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is BIXNSTHJHSZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-17-11(8-5-3-2-4-6-8)12-13-9(15)7-10(16)14-12/h7-8,11H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).