1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione

C9H8N4O4 — CID 57209539

IUPAC1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cn2ccc(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H8N4O4/c14-6-1-3-12(8(16)10-6)5-13-4-2-7(15)11-9(13)17/h1-4H,5H2,(H,10,14,16)(H,11,15,17)
InChIKeyVEOBROOKKFQVHX-UHFFFAOYSA-N
MW236.19 g/mol
LogP-2.11
Rot. Bonds2

About 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione

1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 57209539) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID57209539
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn(Cn2ccc(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H8N4O4/c14-6-1-3-12(8(16)10-6)5-13-4-2-7(15)11-9(13)17/h1-4H,5H2,(H,10,14,16)(H,11,15,17)
InChIKeyVEOBROOKKFQVHX-UHFFFAOYSA-N
XLogP-2.11
TPSA109.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(selanylmethyl)pyrimidine-2,4-dione
CID 173469434
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione
CID 15398145
1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
CID 10104376
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
CID 10541882
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione (CID 57209539) is 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione is O=c1ccn(Cn2ccc(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is VEOBROOKKFQVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4/c14-6-1-3-12(8(16)10-6)5-13-4-2-7(15)11-9(13)17/h1-4H,5H2,(H,10,14,16)(H,11,15,17).
What are the key properties of 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione?
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 236.19 g/mol, XLogP of -2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 57209539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).