5-(2-oxopropyl)-1H-pyrimidin-6-one

C7H8N2O2 — CID 67836749

IUPAC5-(2-oxopropyl)-1H-pyrimidin-6-one
SMILESCC(=O)Cc1cnc[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-5(10)2-6-3-8-4-9-7(6)11/h3-4H,2H2,1H3,(H,8,9,11)
InChIKeyVTVBXAWKVPXZOV-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.10
Rot. Bonds2

About 5-(2-oxopropyl)-1H-pyrimidin-6-one

5-(2-oxopropyl)-1H-pyrimidin-6-one (PubChem CID 67836749) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-(2-oxopropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-oxopropyl)-1H-pyrimidin-6-one
PubChem CID67836749
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-(2-oxopropyl)-1H-pyrimidin-6-one
SMILESCC(=O)Cc1cnc[nH]c1=O
InChIInChI=1S/C7H8N2O2/c1-5(10)2-6-3-8-4-9-7(6)11/h3-4H,2H2,1H3,(H,8,9,11)
InChIKeyVTVBXAWKVPXZOV-UHFFFAOYSA-N
XLogP-0.10
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopropyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-oxopropyl)-1H-pyrimidin-6-one (CID 67836749) is 5-(2-oxopropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-oxopropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-oxopropyl)-1H-pyrimidin-6-one is CC(=O)Cc1cnc[nH]c1=O.
What is the InChIKey of 5-(2-oxopropyl)-1H-pyrimidin-6-one?
The InChIKey is VTVBXAWKVPXZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(10)2-6-3-8-4-9-7(6)11/h3-4H,2H2,1H3,(H,8,9,11).
What are the key properties of 5-(2-oxopropyl)-1H-pyrimidin-6-one?
5-(2-oxopropyl)-1H-pyrimidin-6-one has a molecular weight of 152.15 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 67836749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).