5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one

C11H18N2O3 — CID 103240729

IUPAC5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOc1c(OC(C)CC(C)C)nc[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-7(2)5-8(3)16-11-9(15-4)10(14)12-6-13-11/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyNLDRDLFVZDLXHJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.59
Rot. Bonds5

About 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one

5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one (PubChem CID 103240729) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
PubChem CID103240729
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
SMILESCOc1c(OC(C)CC(C)C)nc[nH]c1=O
InChIInChI=1S/C11H18N2O3/c1-7(2)5-8(3)16-11-9(15-4)10(14)12-6-13-11/h6-8H,5H2,1-4H3,(H,12,13,14)
InChIKeyNLDRDLFVZDLXHJ-UHFFFAOYSA-N
XLogP1.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one (CID 103240729) is 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one is COc1c(OC(C)CC(C)C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
The InChIKey is NLDRDLFVZDLXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)5-8(3)16-11-9(15-4)10(14)12-6-13-11/h6-8H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one?
5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).