propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate

C9H12N2O4 — CID 142671308

IUPACpropan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1cn(C(=O)OC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5(2)15-9(14)11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13)
InChIKeyWWQWAEOIVQVLOW-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.24
Rot. Bonds1

About propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate

propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 142671308) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
PubChem CID142671308
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namepropan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1cn(C(=O)OC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-5(2)15-9(14)11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13)
InChIKeyWWQWAEOIVQVLOW-UHFFFAOYSA-N
XLogP0.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate (CID 142671308) is propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate is Cc1cn(C(=O)OC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is WWQWAEOIVQVLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(2)15-9(14)11-4-6(3)7(12)10-8(11)13/h4-5H,1-3H3,(H,10,12,13).
What are the key properties of propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-methyl-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 142671308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).