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

C4H6N2O — CID 11962267

IUPAC3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC=CCN1
InChIInChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H2,5,6,7)
InChIKeyQGKGASXQTBQINX-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.19
Rot. Bonds

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

3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 11962267) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrimidin-2-one
PubChem CID11962267
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC=CCN1
InChIInChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H2,5,6,7)
InChIKeyQGKGASXQTBQINX-UHFFFAOYSA-N
XLogP-0.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 3,4-dihydro-1H-pyrimidin-2-one (CID 11962267) is 3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 3,4-dihydro-1H-pyrimidin-2-one is O=C1NC=CCN1.
What is the InChIKey of 3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is QGKGASXQTBQINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H2,5,6,7).
What are the key properties of 3,4-dihydro-1H-pyrimidin-2-one?
3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 98.10 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 11962267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).