2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one

C11H18N2O2 — CID 103240474

IUPAC2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-8(2)5-4-6-15-11-7-10(14)12-9(3)13-11/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyZLSLGEYQMUPCKQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one

2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one (PubChem CID 103240474) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
PubChem CID103240474
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCCCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O2/c1-8(2)5-4-6-15-11-7-10(14)12-9(3)13-11/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyZLSLGEYQMUPCKQ-UHFFFAOYSA-N
XLogP1.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.89
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

4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
4-(2,2-dimethylpropoxy)-2-methyl-1H-pyrimidin-6-one
CID 166803033
2-Methyl-6-propoxypyrimidin-4(1H)-one
CID 45117351
6-Isopropoxy-2-isopropylpyrimidin-4(1H)-one
CID 45117357
2-Isopropyl-6-propoxypyrimidin-4(1H)-one
CID 45117379
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
2-ethyl-4-heptoxy-1H-pyrimidin-6-one
CID 103240426
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
4-(2-butoxyethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240434
4-(2-butoxyethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240439
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one (CID 103240474) is 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one is Cc1nc(OCCCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
The InChIKey is ZLSLGEYQMUPCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(2)5-4-6-15-11-7-10(14)12-9(3)13-11/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one?
2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).