4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

C12H18N2O3 — CID 116745106

IUPAC4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H18N2O3/c1-8-4-3-5-12(7-8,17-2)11-13-9(15)6-10(16)14-11/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyWMPBYDOMNLXUJX-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.53
Rot. Bonds2

About 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116745106) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116745106
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H18N2O3/c1-8-4-3-5-12(7-8,17-2)11-13-9(15)6-10(16)14-11/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyWMPBYDOMNLXUJX-UHFFFAOYSA-N
XLogP1.53
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
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
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744928

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 116745106) is 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2nc(O)cc(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is WMPBYDOMNLXUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-4-3-5-12(7-8,17-2)11-13-9(15)6-10(16)14-11/h6,8H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).