2,3-dihydro-1H-pyrimidin-4-one

C4H6N2O — CID 19048546

IUPAC2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=CNCN1
InChIInChI=1S/C4H6N2O/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7)
InChIKeyJTBBWRKSUYCPFY-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.82
Rot. Bonds

About 2,3-dihydro-1H-pyrimidin-4-one

2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 19048546) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrimidin-4-one
PubChem CID19048546
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=CNCN1
InChIInChI=1S/C4H6N2O/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7)
InChIKeyJTBBWRKSUYCPFY-UHFFFAOYSA-N
XLogP-0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 2,3-dihydro-1H-pyrimidin-4-one (CID 19048546) is 2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 2,3-dihydro-1H-pyrimidin-4-one is O=C1C=CNCN1.
What is the InChIKey of 2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is JTBBWRKSUYCPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-4-1-2-5-3-6-4/h1-2,5H,3H2,(H,6,7).
What are the key properties of 2,3-dihydro-1H-pyrimidin-4-one?
2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 98.10 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 19048546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).