4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 103240537

IUPAC4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-10-13-11(15)8-12(14-10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyNCCYNQDOKSNGIZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds3

About 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one

4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103240537) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
PubChem CID103240537
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-2-10-13-11(15)8-12(14-10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15)
InChIKeyNCCYNQDOKSNGIZ-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
4-[cyclobutylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136998914
2-ethyl-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009116
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114586487
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
CID 136842575

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one (CID 103240537) is 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one is CCc1nc(OC2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is NCCYNQDOKSNGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-10-13-11(15)8-12(14-10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one?
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).