propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

C10H14N2O4 — CID 60734743

IUPACpropan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1cn(CC(=O)OC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)16-8(13)5-12-4-7(3)9(14)11-10(12)15/h4,6H,5H2,1-3H3,(H,11,14,15)
InChIKeyFOOUIEFOSLQTRH-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.20
Rot. Bonds3

About propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate

propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 60734743) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID60734743
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namepropan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
SMILESCc1cn(CC(=O)OC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)16-8(13)5-12-4-7(3)9(14)11-10(12)15/h4,6H,5H2,1-3H3,(H,11,14,15)
InChIKeyFOOUIEFOSLQTRH-UHFFFAOYSA-N
XLogP-0.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 2822103
2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Ethyl 3-(5-methyl-2,4-dioxopyrimidin-1-yl)propanoate
CID 11775861
N1-tert-butyloxycarbonylmethylthymine
CID 12162660
Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376609
ethyl (2S)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetate
CID 95987859
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658
2-Methylpropyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 121459595

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate (CID 60734743) is propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is Cc1cn(CC(=O)OC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is FOOUIEFOSLQTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(2)16-8(13)5-12-4-7(3)9(14)11-10(12)15/h4,6H,5H2,1-3H3,(H,11,14,15).
What are the key properties of propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate?
propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 226.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 60734743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).