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

C16H23N4O4+ — CID 9332579

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)Cc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O4/c1-4-7-20-14(17)13(15(22)19(3)16(20)23)12(21)10-18(2)9-11-6-5-8-24-11/h5-6,8H,4,7,9-10,17H2,1-3H3/p+1
InChIKeySCHVXGUAJXJOLT-UHFFFAOYSA-O
MW335.38 g/mol
LogP-0.97
Rot. Bonds7

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

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (PubChem CID 9332579) has the molecular formula C16H23N4O4+ and a molecular weight of 335.38 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
PubChem CID9332579
Molecular FormulaC16H23N4O4+
Molecular Weight335.38 g/mol
Exact Mass335.17
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)Cc2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O4/c1-4-7-20-14(17)13(15(22)19(3)16(20)23)12(21)10-18(2)9-11-6-5-8-24-11/h5-6,8H,4,7,9-10,17H2,1-3H3/p+1
InChIKeySCHVXGUAJXJOLT-UHFFFAOYSA-O
XLogP-0.97
TPSA104.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium with MolForge

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Related Compounds

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] furan-2-carboxylate
CID 7814367
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9303703
[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] benzoate
CID 7868471
[2-(6-amino-1-benzyl-3-methyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 2477702
6-amino-3-methyl-5-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]-1-propylpyrimidine-2,4-dione
CID 9102366
3-[[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]-2-oxoethyl]-(furan-2-ylmethyl)amino]propanenitrile
CID 78793551
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] 2-chlorobenzoate
CID 7775795
6-amino-3-methyl-1-propyl-5-(2-pyrrolidin-1-ylacetyl)pyrimidine-2,4-dione
CID 8901624
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 7864226
2-[[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]amino]benzamide
CID 16606587

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium (CID 9332579) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium is CCCn1c(N)c(C(=O)C[NH+](C)Cc2ccco2)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]-(furan-2-ylmethyl)-methylazanium?
The InChIKey is SCHVXGUAJXJOLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O4/c1-4-7-20-14(17)13(15(22)19(3)16(20)23)12(21)10-18(2)9-11-6-5-8-24-11/h5-6,8H,4,7,9-10,17H2,1-3H3/p+1.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium has a molecular weight of 335.38 g/mol, XLogP of -0.97, 7 rotatable bonds, 2 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]-(furan-2-ylmethyl)-methylazanium is sourced from PubChem (CID 9332579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).