5-propyl-1H-pyrimidin-6-one

C7H10N2O — CID 45080420

IUPAC5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc[nH]c1=O
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyXLOROFRHZQHEHT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.72
Rot. Bonds2

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

5-propyl-1H-pyrimidin-6-one (PubChem CID 45080420) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propyl-1H-pyrimidin-6-one
PubChem CID45080420
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-propyl-1H-pyrimidin-6-one
SMILESCCCc1cnc[nH]c1=O
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10)
InChIKeyXLOROFRHZQHEHT-UHFFFAOYSA-N
XLogP0.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-propyl-1H-pyrimidin-6-one (CID 45080420) is 5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-propyl-1H-pyrimidin-6-one is CCCc1cnc[nH]c1=O.
What is the InChIKey of 5-propyl-1H-pyrimidin-6-one?
The InChIKey is XLOROFRHZQHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-8-5-9-7(6)10/h4-5H,2-3H2,1H3,(H,8,9,10).
What are the key properties of 5-propyl-1H-pyrimidin-6-one?
5-propyl-1H-pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 45080420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).