2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

C16H27N5O4 — CID 169167966

IUPAC2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)Cn1c(N)c(C(=O)CN(CC(N)=O)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-9(2)6-21-14(18)13(15(24)19(5)16(21)25)11(22)7-20(10(3)4)8-12(17)23/h9-10H,6-8,18H2,1-5H3,(H2,17,23)
InChIKeySAFWACHORMRIGB-UHFFFAOYSA-N
MW353.42 g/mol
LogP-0.84
Rot. Bonds8

About 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 169167966) has the molecular formula C16H27N5O4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID169167966
Molecular FormulaC16H27N5O4
Molecular Weight353.42 g/mol
Exact Mass353.21
IUPAC Name2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCC(C)Cn1c(N)c(C(=O)CN(CC(N)=O)C(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C16H27N5O4/c1-9(2)6-21-14(18)13(15(24)19(5)16(21)25)11(22)7-20(10(3)4)8-12(17)23/h9-10H,6-8,18H2,1-5H3,(H2,17,23)
InChIKeySAFWACHORMRIGB-UHFFFAOYSA-N
XLogP-0.84
TPSA133.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-Amino-5-[2-(dipropylamino)acetyl]-1-ethylpyrimidine-2,4-dione
CID 45798288
1-[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 4843745
2-[[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 4848840
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 4849751
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15993495
N-tert-butyl-2-[3-[2-(tert-butylamino)-2-oxoethyl]-6-methyl-2,4,5-trioxo-1-propyl-6H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
CID 16317016
6-Amino-1,3-dimethyl-5-[2-(propan-2-ylamino)acetyl]pyrimidine-2,4-dione;hydrochloride
CID 126477197
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 126477237
2-[[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]-propan-2-ylamino]acetamide
CID 26302605
1-[2-[6-Amino-1-(cyclobutylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 169168000
2-[[2-[6-Amino-1-(cyclohexylmethyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 169168004
(2R)-1-[2-[6-amino-1-(2,2-dimethylpropyl)-3-ethyl-2,4-dioxopyrimidin-5-yl]-2-oxoethyl]piperidine-2-carboxamide
CID 170543311

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 169167966) is 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is CC(C)Cn1c(N)c(C(=O)CN(CC(N)=O)C(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is SAFWACHORMRIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4/c1-9(2)6-21-14(18)13(15(24)19(5)16(21)25)11(22)7-20(10(3)4)8-12(17)23/h9-10H,6-8,18H2,1-5H3,(H2,17,23).
What are the key properties of 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 353.42 g/mol, XLogP of -0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 169167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).