4-propan-2-yloxy-1-propylpyrimidin-2-one

C10H16N2O2 — CID 123194348

IUPAC4-propan-2-yloxy-1-propylpyrimidin-2-one
SMILESCCCn1ccc(OC(C)C)nc1=O
InChIInChI=1S/C10H16N2O2/c1-4-6-12-7-5-9(11-10(12)13)14-8(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyGEECKUQSSWTEJO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.44
Rot. Bonds4

About 4-propan-2-yloxy-1-propylpyrimidin-2-one

4-propan-2-yloxy-1-propylpyrimidin-2-one (PubChem CID 123194348) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-propylpyrimidin-2-one.

Molecular Properties

Compound Name4-propan-2-yloxy-1-propylpyrimidin-2-one
PubChem CID123194348
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-propan-2-yloxy-1-propylpyrimidin-2-one
SMILESCCCn1ccc(OC(C)C)nc1=O
InChIInChI=1S/C10H16N2O2/c1-4-6-12-7-5-9(11-10(12)13)14-8(2)3/h5,7-8H,4,6H2,1-3H3
InChIKeyGEECKUQSSWTEJO-UHFFFAOYSA-N
XLogP1.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-propylpyrimidin-2-one?
The IUPAC name of 4-propan-2-yloxy-1-propylpyrimidin-2-one (CID 123194348) is 4-propan-2-yloxy-1-propylpyrimidin-2-one.
What is the SMILES notation for 4-propan-2-yloxy-1-propylpyrimidin-2-one?
The canonical SMILES for 4-propan-2-yloxy-1-propylpyrimidin-2-one is CCCn1ccc(OC(C)C)nc1=O.
What is the InChIKey of 4-propan-2-yloxy-1-propylpyrimidin-2-one?
The InChIKey is GEECKUQSSWTEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-6-12-7-5-9(11-10(12)13)14-8(2)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-1-propylpyrimidin-2-one?
4-propan-2-yloxy-1-propylpyrimidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-propylpyrimidin-2-one is sourced from PubChem (CID 123194348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).