6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C17H24N4O3S — CID 8718403

IUPAC6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3
InChIKeyZGXPGCOVTVQFPJ-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.31
Rot. Bonds8

About 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 8718403) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID8718403
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3
InChIKeyZGXPGCOVTVQFPJ-UHFFFAOYSA-N
XLogP1.31
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 8718403) is 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ZGXPGCOVTVQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-8-21-15(18)14(16(23)19(3)17(21)24)13(22)11-20(5-2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11,18H2,1-3H3.
What are the key properties of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 364.47 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8718403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).