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

C15H26N5O4+ — CID 8712318

IUPAC[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)CC(=O)N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3/p+1
InChIKeyPBVQHTDTEFGMEO-UHFFFAOYSA-O
MW340.40 g/mol
LogP-2.68
Rot. Bonds7

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

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8712318) has the molecular formula C15H26N5O4+ and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8712318
Molecular FormulaC15H26N5O4+
Molecular Weight340.40 g/mol
Exact Mass340.20
IUPAC Name[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)CC(=O)N(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3/p+1
InChIKeyPBVQHTDTEFGMEO-UHFFFAOYSA-O
XLogP-2.68
TPSA111.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8712318) is [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is CCCn1c(N)c(C(=O)C[NH+](C)CC(=O)N(C)C)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-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is PBVQHTDTEFGMEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N5O4/c1-6-7-20-13(16)12(14(23)19(5)15(20)24)10(21)8-18(4)9-11(22)17(2)3/h6-9,16H2,1-5H3/p+1.
What are the key properties of [2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 340.40 g/mol, XLogP of -2.68, 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]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8712318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).