[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

C15H21N4O3S+ — CID 8964947

IUPAC[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18(2)8-10-5-4-7-23-10/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,21,22)/p+1
InChIKeyDQFZENZGWVPEPJ-UHFFFAOYSA-O
MW337.43 g/mol
LogP-0.51
Rot. Bonds7

About [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium

[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 8964947) has the molecular formula C15H21N4O3S+ and a molecular weight of 337.43 g/mol. Its IUPAC name is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
PubChem CID8964947
Molecular FormulaC15H21N4O3S+
Molecular Weight337.43 g/mol
Exact Mass337.13
IUPAC Name[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
SMILESCCCn1c(N)c(C(=O)C[NH+](C)Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O3S/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18(2)8-10-5-4-7-23-10/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,21,22)/p+1
InChIKeyDQFZENZGWVPEPJ-UHFFFAOYSA-O
XLogP-0.51
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium (CID 8964947) is [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is CCCn1c(N)c(C(=O)C[NH+](C)Cc2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is DQFZENZGWVPEPJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O3S/c1-3-6-19-13(16)12(14(21)17-15(19)22)11(20)9-18(2)8-10-5-4-7-23-10/h4-5,7H,3,6,8-9,16H2,1-2H3,(H,17,21,22)/p+1.
What are the key properties of [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium?
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 337.43 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 8964947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).