[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

C21H30N5O4+ — CID 9303703

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)CC(=O)Nc2ccccc2CC)c(=O)n(C)c1=O
InChIInChI=1S/C21H29N5O4/c1-5-11-26-19(22)18(20(29)25(4)21(26)30)16(27)12-24(3)13-17(28)23-15-10-8-7-9-14(15)6-2/h7-10H,5-6,11-13,22H2,1-4H3,(H,23,28)/p+1
InChIKeyXBWZJGPBWFXYPY-UHFFFAOYSA-O
MW416.50 g/mol
LogP-0.56
Rot. Bonds9

About [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (PubChem CID 9303703) has the molecular formula C21H30N5O4+ and a molecular weight of 416.50 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
PubChem CID9303703
Molecular FormulaC21H30N5O4+
Molecular Weight416.50 g/mol
Exact Mass416.23
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)CC(=O)Nc2ccccc2CC)c(=O)n(C)c1=O
InChIInChI=1S/C21H29N5O4/c1-5-11-26-19(22)18(20(29)25(4)21(26)30)16(27)12-24(3)13-17(28)23-15-10-8-7-9-14(15)6-2/h7-10H,5-6,11-13,22H2,1-4H3,(H,23,28)/p+1
InChIKeyXBWZJGPBWFXYPY-UHFFFAOYSA-O
XLogP-0.56
TPSA120.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287541
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
CID 9332579
2-[[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 71902916
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
CID 16606587
6-amino-5-[2-(2-chloroanilino)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 18096439
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] benzoate
CID 7868471
[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2457404
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-chlorobenzoate
CID 7775795
[2-(2-ethylanilino)-2-oxoethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium
CID 9304134
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7864226
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 4-phenoxybenzoate
CID 16540826
[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9304248

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium (CID 9303703) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is CCCn1c(N)c(C(=O)C[NH+](C)CC(=O)Nc2ccccc2CC)c(=O)n(C)c1=O.
What is the InChIKey of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
The InChIKey is XBWZJGPBWFXYPY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H29N5O4/c1-5-11-26-19(22)18(20(29)25(4)21(26)30)16(27)12-24(3)13-17(28)23-15-10-8-7-9-14(15)6-2/h7-10H,5-6,11-13,22H2,1-4H3,(H,23,28)/p+1.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium has a molecular weight of 416.50 g/mol, XLogP of -0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9303703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).