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

C16H26N2O3 — CID 116745147

IUPAC2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OCC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H26N2O3/c1-3-8-12-15(19)17-14(18-16(12)20)13(21-4-2)11-9-6-5-7-10-11/h11,13H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyIRYKSJDSRNVXBL-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.09
Rot. Bonds6

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

2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 116745147) 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-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID116745147
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(OCC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H26N2O3/c1-3-8-12-15(19)17-14(18-16(12)20)13(21-4-2)11-9-6-5-7-10-11/h11,13H,3-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyIRYKSJDSRNVXBL-UHFFFAOYSA-N
XLogP3.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(oxan-2-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 104249131
5-cyclopentyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 112569323
5-cyclopentyl-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 112569385
5-cyclopentyl-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 112569400
4-hydroxy-2-(oxan-2-ylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 113391198
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113554615
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
5-cyclopentyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 115926312
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116705697

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 116745147) is 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(OCC)C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is IRYKSJDSRNVXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-8-12-15(19)17-14(18-16(12)20)13(21-4-2)11-9-6-5-7-10-11/h11,13H,3-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 294.39 g/mol, XLogP of 3.09, 6 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).