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

C11H18N2O2 — CID 103240494

IUPAC4-hexoxy-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-15-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVDDQQYINHYJXFG-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.04
Rot. Bonds6

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

4-hexoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 103240494) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-hexoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hexoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID103240494
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-hexoxy-2-methyl-1H-pyrimidin-6-one
SMILESCCCCCCOc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-15-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyVDDQQYINHYJXFG-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.04
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-methyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241916
4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 20674308
ethane;4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 161322465
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-Propoxy-2-propylpyrimidin-4(1H)-one
CID 45117371
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240415
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hexoxy-2-methyl-1H-pyrimidin-6-one (CID 103240494) is 4-hexoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hexoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hexoxy-2-methyl-1H-pyrimidin-6-one is CCCCCCOc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-hexoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VDDQQYINHYJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-4-5-6-7-15-11-8-10(14)12-9(2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 4-hexoxy-2-methyl-1H-pyrimidin-6-one?
4-hexoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).