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

C9H13N3O4 — CID 63799198

IUPACpropan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5(2)16-7(13)4-12-3-6(10)8(14)11-9(12)15/h3,5H,4,10H2,1-2H3,(H,11,14,15)
InChIKeyDQUKQVHJPMWSST-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.93
Rot. Bonds3

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

propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 63799198) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID63799198
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Namepropan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)OC(=O)Cn1cc(N)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5(2)16-7(13)4-12-3-6(10)8(14)11-9(12)15/h3,5H,4,10H2,1-2H3,(H,11,14,15)
InChIKeyDQUKQVHJPMWSST-UHFFFAOYSA-N
XLogP-0.93
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
ethyl (2-hydroxy-5-iodo-4-oxopyrimidin-1(4H)-yl)acetate
CID 745125
Methyl 2-(5-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 63799383
Ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 10039725
Ethyl 2-[acetyl(methyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 13255658
Ethyl 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-acetate
CID 293824
Ethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 293827
Isopropyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-1-yl)acetate
CID 12129795
Orotylglycine ethyl ester
CID 60810834
Butyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 55027812
Ethyl 2-fluoro-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 81297323
Ethyl 2-fluoro-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetate
CID 81298156

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate (CID 63799198) is propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate is CC(C)OC(=O)Cn1cc(N)c(=O)[nH]c1=O.
What is the InChIKey of propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is DQUKQVHJPMWSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(2)16-7(13)4-12-3-6(10)8(14)11-9(12)15/h3,5H,4,10H2,1-2H3,(H,11,14,15).
What are the key properties of propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate?
propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 227.22 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-amino-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 63799198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).