5-butyl-1H-pyrimidin-6-one

C8H12N2O — CID 3025547

IUPAC5-butyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-5-9-6-10-8(7)11/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyXDCIBZVFAIWWIE-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.11
Rot. Bonds3

About 5-butyl-1H-pyrimidin-6-one

5-butyl-1H-pyrimidin-6-one (PubChem CID 3025547) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-1H-pyrimidin-6-one
PubChem CID3025547
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-butyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-2-3-4-7-5-9-6-10-8(7)11/h5-6H,2-4H2,1H3,(H,9,10,11)
InChIKeyXDCIBZVFAIWWIE-UHFFFAOYSA-N
XLogP1.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-1H-pyrimidin-6-one (CID 3025547) is 5-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-1H-pyrimidin-6-one is CCCCc1cnc[nH]c1=O.
What is the InChIKey of 5-butyl-1H-pyrimidin-6-one?
The InChIKey is XDCIBZVFAIWWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-7-5-9-6-10-8(7)11/h5-6H,2-4H2,1H3,(H,9,10,11).
What are the key properties of 5-butyl-1H-pyrimidin-6-one?
5-butyl-1H-pyrimidin-6-one has a molecular weight of 152.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 3025547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).