1-butan-2-ylpyrimidin-2-one

C8H12N2O — CID 66921962

IUPAC1-butan-2-ylpyrimidin-2-one
SMILESCCC(C)n1cccnc1=O
InChIInChI=1S/C8H12N2O/c1-3-7(2)10-6-4-5-9-8(10)11/h4-7H,3H2,1-2H3
InChIKeyKKEAPVZPIPXIFP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.21
Rot. Bonds2

About 1-butan-2-ylpyrimidin-2-one

1-butan-2-ylpyrimidin-2-one (PubChem CID 66921962) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-butan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-butan-2-ylpyrimidin-2-one
PubChem CID66921962
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-butan-2-ylpyrimidin-2-one
SMILESCCC(C)n1cccnc1=O
InChIInChI=1S/C8H12N2O/c1-3-7(2)10-6-4-5-9-8(10)11/h4-7H,3H2,1-2H3
InChIKeyKKEAPVZPIPXIFP-UHFFFAOYSA-N
XLogP1.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrimidin-2-one?
The IUPAC name of 1-butan-2-ylpyrimidin-2-one (CID 66921962) is 1-butan-2-ylpyrimidin-2-one.
What is the SMILES notation for 1-butan-2-ylpyrimidin-2-one?
The canonical SMILES for 1-butan-2-ylpyrimidin-2-one is CCC(C)n1cccnc1=O.
What is the InChIKey of 1-butan-2-ylpyrimidin-2-one?
The InChIKey is KKEAPVZPIPXIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7(2)10-6-4-5-9-8(10)11/h4-7H,3H2,1-2H3.
What are the key properties of 1-butan-2-ylpyrimidin-2-one?
1-butan-2-ylpyrimidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrimidin-2-one is sourced from PubChem (CID 66921962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).