1H-pyrimidine-2,4-dione

C4H4N2O2 — CID 1174

IUPAC1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
MW112.09 g/mol
LogP-0.94
Rot. Bonds

About 1H-pyrimidine-2,4-dione

1H-pyrimidine-2,4-dione (PubChem CID 1174) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione
PubChem CID1174
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyISAKRJDGNUQOIC-UHFFFAOYSA-N
XLogP-0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluorouracil
CID 3385
5-Aminouracil
CID 13611
3-Methyluracil
CID 79066
1-Methyluracil
CID 12009
1-Ethyluracil
CID 4183135
6-Amino-1-methyluracil
CID 75520
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 853899
6-Propylamino-1,3-dimethyluracil
CID 2262138
1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489883
1-(Ethoxymethyl)uracil
CID 642670
1-Amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5743371
6-Ethylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 652709

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione?
The IUPAC name of 1H-pyrimidine-2,4-dione (CID 1174) is 1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1H-pyrimidine-2,4-dione?
The canonical SMILES for 1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione?
The InChIKey is ISAKRJDGNUQOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8).
What are the key properties of 1H-pyrimidine-2,4-dione?
1H-pyrimidine-2,4-dione has a molecular weight of 112.09 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).