methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate

C13H21N3O4 — CID 61034787

IUPACmethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H21N3O4/c1-5-6-16(9-12(18)20-4)8-10-7-11(17)15(3)13(19)14(10)2/h7H,5-6,8-9H2,1-4H3
InChIKeyAZPGLGBDXPFHHW-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.53
Rot. Bonds6

About methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate

methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate (PubChem CID 61034787) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate
PubChem CID61034787
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Namemethyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C13H21N3O4/c1-5-6-16(9-12(18)20-4)8-10-7-11(17)15(3)13(19)14(10)2/h7H,5-6,8-9H2,1-4H3
InChIKeyAZPGLGBDXPFHHW-UHFFFAOYSA-N
XLogP-0.53
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate with MolForge

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Related Compounds

Methyl 2-[cyclopropyl-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]amino]propanoate
CID 53578384
6-[[Butan-2-yl(2-methoxyethyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47040062
Methyl 2-[3-methyl-2,4-dioxo-6-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 137454045
Isopropyl 2-(1-isopropoxycarbonylmethyl-6-methyl-2,4-di-oxo-1,2,3,4-tetrahydropyrimidin-3-yl)acetate
CID 12129796
(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)acetic acid methyl ester
CID 15047492
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
Methyl 1,3-dibutyl-2,6-dioxopyrimidine-4-carboxylate
CID 59363748
Methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate
CID 59363764
1,3-Bis(2-methoxyethyl)-6-methylpyrimidine-2,4-dione
CID 69181243
Ethane;methyl 1,3-dibutyl-2,6-dioxopyrimidine-4-carboxylate
CID 145495617
Methyl 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetate
CID 161859570
Methyl 2-(3,4-dimethyl-2,6-dioxopyrimidin-1-yl)-3-methoxypropanoate
CID 169129183

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate (CID 61034787) is methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate?
The InChIKey is AZPGLGBDXPFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-5-6-16(9-12(18)20-4)8-10-7-11(17)15(3)13(19)14(10)2/h7H,5-6,8-9H2,1-4H3.
What are the key properties of methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate?
methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate has a molecular weight of 283.33 g/mol, XLogP of -0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl-propylamino]acetate is sourced from PubChem (CID 61034787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).