2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C16H26N2O3 — CID 116745155

IUPAC2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OCC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C16H26N2O3/c1-3-9-12-13(19)17-15(18-14(12)20)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyZCVHNMRTESCYTK-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.01
Rot. Bonds5

About 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 116745155) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID116745155
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OCC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C16H26N2O3/c1-3-9-12-13(19)17-15(18-14(12)20)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyZCVHNMRTESCYTK-UHFFFAOYSA-N
XLogP3.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.01
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-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 113432633
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-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 116745112
2-(1-ethoxycycloheptyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745120
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116745127
5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745128
2-[cyclohexyl(ethoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116745129

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 116745155) is 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2(OCC)CCCCCC2)[nH]c1=O.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is ZCVHNMRTESCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-9-12-13(19)17-15(18-14(12)20)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).