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

C8H11N3O3 — CID 174453913

IUPAC3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)5-3-10-8(14)11(9)7(5)13/h3-4H,9H2,1-2H3,(H,10,14)
InChIKeySLNICPSHRSXQLB-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.91
Rot. Bonds2

About 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione

3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 174453913) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID174453913
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C8H11N3O3/c1-4(2)6(12)5-3-10-8(14)11(9)7(5)13/h3-4H,9H2,1-2H3,(H,10,14)
InChIKeySLNICPSHRSXQLB-UHFFFAOYSA-N
XLogP-0.91
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58554670
5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58862428
5-Propionylpyrimidine-2,4(1h,3h)-dione
CID 66545525
1-Amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
CID 134419507
5-(3,3,3-trideuteriopropanoyl)-1H-pyrimidine-2,4-dione
CID 176150320
5-acetyl-3-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 83024369
5-acetyl-3-(dimethylamino)-1H-pyrimidine-2,4-dione
CID 83024743
N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide
CID 126842110

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione (CID 174453913) is 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is CC(C)C(=O)c1c[nH]c(=O)n(N)c1=O.
What is the InChIKey of 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SLNICPSHRSXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(2)6(12)5-3-10-8(14)11(9)7(5)13/h3-4H,9H2,1-2H3,(H,10,14).
What are the key properties of 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione?
3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 197.19 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174453913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).