4,6-dimethyl-5-propyl-1H-pyrimidin-2-one

C9H14N2O — CID 45064201

IUPAC4,6-dimethyl-5-propyl-1H-pyrimidin-2-one
SMILESCCCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C9H14N2O/c1-4-5-8-6(2)10-9(12)11-7(8)3/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyUHGPYIWKXQVGBQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds2

About 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one

4,6-dimethyl-5-propyl-1H-pyrimidin-2-one (PubChem CID 45064201) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-propyl-1H-pyrimidin-2-one
PubChem CID45064201
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4,6-dimethyl-5-propyl-1H-pyrimidin-2-one
SMILESCCCc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C9H14N2O/c1-4-5-8-6(2)10-9(12)11-7(8)3/h4-5H2,1-3H3,(H,10,11,12)
InChIKeyUHGPYIWKXQVGBQ-UHFFFAOYSA-N
XLogP1.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one (CID 45064201) is 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one is CCCc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one?
The InChIKey is UHGPYIWKXQVGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-5-8-6(2)10-9(12)11-7(8)3/h4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one?
4,6-dimethyl-5-propyl-1H-pyrimidin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propyl-1H-pyrimidin-2-one is sourced from PubChem (CID 45064201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).