1H-pyrimidin-6-one

C4H4N2O — CID 20695

IUPAC1H-pyrimidin-6-one
SMILESO=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKeyDNCYBUMDUBHIJZ-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.23
Rot. Bonds

About 1H-pyrimidin-6-one

1H-pyrimidin-6-one (PubChem CID 20695) has the molecular formula C4H4N2O and a molecular weight of 96.09 g/mol. Its IUPAC name is 1H-pyrimidin-6-one.

Molecular Properties

Compound Name1H-pyrimidin-6-one
PubChem CID20695
Molecular FormulaC4H4N2O
Molecular Weight96.09 g/mol
Exact Mass96.03
IUPAC Name1H-pyrimidin-6-one
SMILESO=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKeyDNCYBUMDUBHIJZ-UHFFFAOYSA-N
XLogP-0.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isocytosine
CID 66950
6-Amino-1H-pyrimidin-4-one
CID 135431272
5-Fluoro-4(3H)-pyrimidinone
CID 101497
3-methylpyrimidin-4(3H)-one
CID 301417
2-Selenouracil
CID 6327781
6-(Methylamino)pyrimidin-4-ol
CID 135481447
5-Amino-3,4-dihydropyrimidin-4-one
CID 12455727
Uracil-1-yl
CID 150747
Hydroxy-fluoropyrimidine
CID 21791026
Pyrimidine, 4-hydroxy-2-methylamino-
CID 14803475
2-Chloropyrimidin-4(3H)-one
CID 13678541
Pyrimidin-4-one hydrochloride
CID 18767932

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-6-one?
The IUPAC name of 1H-pyrimidin-6-one (CID 20695) is 1H-pyrimidin-6-one.
What is the SMILES notation for 1H-pyrimidin-6-one?
The canonical SMILES for 1H-pyrimidin-6-one is O=c1ccnc[nH]1.
What is the InChIKey of 1H-pyrimidin-6-one?
The InChIKey is DNCYBUMDUBHIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7).
What are the key properties of 1H-pyrimidin-6-one?
1H-pyrimidin-6-one has a molecular weight of 96.09 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-6-one is sourced from PubChem (CID 20695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).