4-propoxy-2-propyl-1H-pyrimidin-6-one

C10H16N2O2 — CID 45117371

IUPAC4-propoxy-2-propyl-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(CCC)n1
InChIInChI=1S/C10H16N2O2/c1-3-5-8-11-9(13)7-10(12-8)14-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVJSSAZNGCWNUQP-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds5

About 4-propoxy-2-propyl-1H-pyrimidin-6-one

4-propoxy-2-propyl-1H-pyrimidin-6-one (PubChem CID 45117371) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-propoxy-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propoxy-2-propyl-1H-pyrimidin-6-one
PubChem CID45117371
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-propoxy-2-propyl-1H-pyrimidin-6-one
SMILESCCCOc1cc(=O)[nH]c(CCC)n1
InChIInChI=1S/C10H16N2O2/c1-3-5-8-11-9(13)7-10(12-8)14-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVJSSAZNGCWNUQP-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propoxy-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-propoxy-2-propyl-1H-pyrimidin-6-one (CID 45117371) is 4-propoxy-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propoxy-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-propoxy-2-propyl-1H-pyrimidin-6-one is CCCOc1cc(=O)[nH]c(CCC)n1.
What is the InChIKey of 4-propoxy-2-propyl-1H-pyrimidin-6-one?
The InChIKey is VJSSAZNGCWNUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-8-11-9(13)7-10(12-8)14-6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 4-propoxy-2-propyl-1H-pyrimidin-6-one?
4-propoxy-2-propyl-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 45117371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).