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

C4H6N2O2 — CID 18950434

IUPAC6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=C(O)NCN1
InChIInChI=1S/C4H6N2O2/c7-3-1-4(8)6-2-5-3/h1,5,7H,2H2,(H,6,8)
InChIKeyHAMBJPRNUJXMKF-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.94
Rot. Bonds

About 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one

6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 18950434) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID18950434
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one
SMILESO=C1C=C(O)NCN1
InChIInChI=1S/C4H6N2O2/c7-3-1-4(8)6-2-5-3/h1,5,7H,2H2,(H,6,8)
InChIKeyHAMBJPRNUJXMKF-UHFFFAOYSA-N
XLogP-0.94
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 ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one (CID 18950434) is 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is O=C1C=C(O)NCN1.
What is the InChIKey of 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is HAMBJPRNUJXMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-3-1-4(8)6-2-5-3/h1,5,7H,2H2,(H,6,8).
What are the key properties of 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one?
6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 114.10 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 18950434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).