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

C12H20N2O2 — CID 103240496

IUPAC2-ethyl-4-hexoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H20N2O2/c1-3-5-6-7-8-16-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeySIBLEOABNZJRJV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.29
Rot. Bonds7

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

2-ethyl-4-hexoxy-1H-pyrimidin-6-one (PubChem CID 103240496) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethyl-4-hexoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-hexoxy-1H-pyrimidin-6-one
PubChem CID103240496
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethyl-4-hexoxy-1H-pyrimidin-6-one
SMILESCCCCCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H20N2O2/c1-3-5-6-7-8-16-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeySIBLEOABNZJRJV-UHFFFAOYSA-N
XLogP2.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
4-(2,2-difluoroethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103241906
2-ethyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241929
2-ethyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792802
2-tert-butyl-4-ethoxy-1H-pyrimidin-6-one
CID 14279697
2-ethyl-4-methoxy-1H-pyrimidin-6-one
CID 103846153
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-hexoxy-1H-pyrimidin-6-one (CID 103240496) is 2-ethyl-4-hexoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-hexoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-hexoxy-1H-pyrimidin-6-one is CCCCCCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-hexoxy-1H-pyrimidin-6-one?
The InChIKey is SIBLEOABNZJRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-6-7-8-16-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-hexoxy-1H-pyrimidin-6-one?
2-ethyl-4-hexoxy-1H-pyrimidin-6-one has a molecular weight of 224.30 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).