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

C4H6N2O2 — CID 19758212

IUPAC2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=CNC(O)N1
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2,4-5,8H,(H,6,7)
InChIKeyYCELVGCIWLNMRG-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.50
Rot. Bonds

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

2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 19758212) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID19758212
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=CNC(O)N1
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2,4-5,8H,(H,6,7)
InChIKeyYCELVGCIWLNMRG-UHFFFAOYSA-N
XLogP-1.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (CID 19758212) is 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is O=C1C=CNC(O)N1.
What is the InChIKey of 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is YCELVGCIWLNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2,4-5,8H,(H,6,7).
What are the key properties of 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 114.10 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 19758212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).