2-(1-methoxypropyl)-1H-pyrimidin-6-one

C8H12N2O2 — CID 116705567

IUPAC2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-6(12-2)8-9-5-4-7(11)10-8/h4-6H,3H2,1-2H3,(H,9,10,11)
InChIKeyXNSIDVQFIUQBJC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds3

About 2-(1-methoxypropyl)-1H-pyrimidin-6-one

2-(1-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 116705567) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID116705567
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(1-methoxypropyl)-1H-pyrimidin-6-one
SMILESCCC(OC)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-6(12-2)8-9-5-4-7(11)10-8/h4-6H,3H2,1-2H3,(H,9,10,11)
InChIKeyXNSIDVQFIUQBJC-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxypropyl)-1H-pyrimidin-6-one (CID 116705567) is 2-(1-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxypropyl)-1H-pyrimidin-6-one is CCC(OC)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is XNSIDVQFIUQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6(12-2)8-9-5-4-7(11)10-8/h4-6H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(1-methoxypropyl)-1H-pyrimidin-6-one?
2-(1-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).