[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

C13H19N5O4 — CID 46481681

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H19N5O4/c1-4-14-13(21)17-11(20)9(2)22-10(19)8-18(3)12-15-6-5-7-16-12/h5-7,9H,4,8H2,1-3H3,(H2,14,17,20,21)
InChIKeyVCUUQJUFVXXGAY-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.31
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (PubChem CID 46481681) has the molecular formula C13H19N5O4 and a molecular weight of 309.33 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
PubChem CID46481681
Molecular FormulaC13H19N5O4
Molecular Weight309.33 g/mol
Exact Mass309.14
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CN(C)c1ncccn1
InChIInChI=1S/C13H19N5O4/c1-4-14-13(21)17-11(20)9(2)22-10(19)8-18(3)12-15-6-5-7-16-12/h5-7,9H,4,8H2,1-3H3,(H2,14,17,20,21)
InChIKeyVCUUQJUFVXXGAY-UHFFFAOYSA-N
XLogP-0.31
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-quinolin-8-ylacetate
CID 46688074
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30906056
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 30711153
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 46789085
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885920
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602739
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 42901482
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate (CID 46481681) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is CCNC(=O)NC(=O)C(C)OC(=O)CN(C)c1ncccn1.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
The InChIKey is VCUUQJUFVXXGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O4/c1-4-14-13(21)17-11(20)9(2)22-10(19)8-18(3)12-15-6-5-7-16-12/h5-7,9H,4,8H2,1-3H3,(H2,14,17,20,21).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate has a molecular weight of 309.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(pyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 46481681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).