6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione

C9H12N2O4 — CID 920104

IUPAC6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-4(2)6(12)5-7(13)10-9(15)11(3)8(5)14/h4,14H,1-3H3,(H,10,13,15)
InChIKeyCBZSBEPPNMWJKJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.38
Rot. Bonds2

About 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione

6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione (PubChem CID 920104) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
PubChem CID920104
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-4(2)6(12)5-7(13)10-9(15)11(3)8(5)14/h4,14H,1-3H3,(H,10,13,15)
InChIKeyCBZSBEPPNMWJKJ-UHFFFAOYSA-N
XLogP-0.38
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione (CID 920104) is 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione is CC(C)C(=O)c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
The InChIKey is CBZSBEPPNMWJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4(2)6(12)5-7(13)10-9(15)11(3)8(5)14/h4,14H,1-3H3,(H,10,13,15).
What are the key properties of 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione has a molecular weight of 212.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 920104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).