5-butyl-2-methyl-1H-pyrimidin-6-one

C9H14N2O — CID 154318485

IUPAC5-butyl-2-methyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-10-7(2)11-9(8)12/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDTAXVVZYAGDHGT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.42
Rot. Bonds3

About 5-butyl-2-methyl-1H-pyrimidin-6-one

5-butyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 154318485) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-butyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-methyl-1H-pyrimidin-6-one
PubChem CID154318485
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-butyl-2-methyl-1H-pyrimidin-6-one
SMILESCCCCc1cnc(C)[nH]c1=O
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-10-7(2)11-9(8)12/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyDTAXVVZYAGDHGT-UHFFFAOYSA-N
XLogP1.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-methyl-1H-pyrimidin-6-one (CID 154318485) is 5-butyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-methyl-1H-pyrimidin-6-one is CCCCc1cnc(C)[nH]c1=O.
What is the InChIKey of 5-butyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DTAXVVZYAGDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-5-8-6-10-7(2)11-9(8)12/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-butyl-2-methyl-1H-pyrimidin-6-one?
5-butyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154318485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).