2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C16H26N2O3 — CID 116745166

IUPAC2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-4-21-13(11-8-6-5-7-9-11)14-17-15(19)12(10(2)3)16(20)18-14/h10-11,13H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyPSKCMJSAKAEMAP-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.26
Rot. Bonds5

About 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 116745166) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID116745166
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-4-21-13(11-8-6-5-7-9-11)14-17-15(19)12(10(2)3)16(20)18-14/h10-11,13H,4-9H2,1-3H3,(H2,17,18,19,20)
InChIKeyPSKCMJSAKAEMAP-UHFFFAOYSA-N
XLogP3.26
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 82836726
5-ethyl-4-hydroxy-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 104249129
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113554612
4-hydroxy-2-(1-methoxybutyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113554618
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 116705705
2-(1-ethoxybutyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 116705711

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 116745166) is 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CCOC(c1nc(O)c(C(C)C)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PSKCMJSAKAEMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-21-13(11-8-6-5-7-9-11)14-17-15(19)12(10(2)3)16(20)18-14/h10-11,13H,4-9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 294.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).