methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

C10H15N3O4 — CID 28611587

IUPACmethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O4/c1-12-6-7(4-11-5-8(14)17-3)9(15)13(2)10(12)16/h6,11H,4-5H2,1-3H3
InChIKeyPEBCZLXCCGHPNU-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.65
Rot. Bonds4

About methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate

methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (PubChem CID 28611587) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
PubChem CID28611587
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O4/c1-12-6-7(4-11-5-8(14)17-3)9(15)13(2)10(12)16/h6,11H,4-5H2,1-3H3
InChIKeyPEBCZLXCCGHPNU-UHFFFAOYSA-N
XLogP-1.65
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
Ethyl 2-[5-[2-[2-[[1-(2-ethoxy-2-oxoethyl)-2,4-dioxopyrimidine-5-carbonyl]amino]ethoxy]ethylcarbamoyl]-2,4-dioxopyrimidin-1-yl]acetate
CID 25185738
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
N1-tert-butyloxycarbonylmethylthymine
CID 12162660
ThyPropOate
CID 15138291
n3-Carboxymethylthymine
CID 15747554
methyl 3-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)propanoate
CID 69940201
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate (CID 28611587) is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is COC(=O)CNCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
The InChIKey is PEBCZLXCCGHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-12-6-7(4-11-5-8(14)17-3)9(15)13(2)10(12)16/h6,11H,4-5H2,1-3H3.
What are the key properties of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate?
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate has a molecular weight of 241.25 g/mol, XLogP of -1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetate is sourced from PubChem (CID 28611587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).