[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C13H20N4O3 — CID 43063495

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCC(C)CNC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H20N4O3/c1-10(2)7-16-11(18)9-20-12(19)8-17(3)13-14-5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H,16,18)
InChIKeyWFLMTDVHIWFXAQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.23
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 43063495) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID43063495
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCC(C)CNC(=O)COC(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H20N4O3/c1-10(2)7-16-11(18)9-20-12(19)8-17(3)13-14-5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H,16,18)
InChIKeyWFLMTDVHIWFXAQ-UHFFFAOYSA-N
XLogP0.23
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602636
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 42956413
[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425579
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640954
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602805
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602839

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 43063495) is [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CC(C)CNC(=O)COC(=O)CN(C)c1ncccn1.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is WFLMTDVHIWFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10(2)7-16-11(18)9-20-12(19)8-17(3)13-14-5-4-6-15-13/h4-6,10H,7-9H2,1-3H3,(H,16,18).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 280.33 g/mol, XLogP of 0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 43063495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).