5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 58862428

IUPAC5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4(2)6(11)5-3-9-8(13)10-7(5)12/h3-4H,1-2H3,(H2,9,10,12,13)
InChIKeyGFNYHEFNOHAXDP-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.10
Rot. Bonds2

About 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione

5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 58862428) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID58862428
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4(2)6(11)5-3-9-8(13)10-7(5)12/h3-4H,1-2H3,(H2,9,10,12,13)
InChIKeyGFNYHEFNOHAXDP-UHFFFAOYSA-N
XLogP-0.10
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Acetyluracil
CID 234581
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
5-acetyl-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
5-sec-Butyluracil
CID 587021
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178
5-hydroxy-6-isobutyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677240
5-(4-methylpentyl)-1H-pyrimidine-2,4-dione
CID 289977
5-(2-Methylpropyl)pyrimidine-2,4(1h,3h)-dione
CID 289071

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (CID 58862428) is 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is CC(C)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GFNYHEFNOHAXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4(2)6(11)5-3-9-8(13)10-7(5)12/h3-4H,1-2H3,(H2,9,10,12,13).
What are the key properties of 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58862428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).