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

C16H22N4O3S — CID 8964907

IUPAC6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O3S/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
InChIKeyHJLXYMXLPFWIQH-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.92
Rot. Bonds7

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

6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 8964907) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID8964907
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(C)Cc2cccs2)c(=O)n(C)c1=O
InChIInChI=1S/C16H22N4O3S/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
InChIKeyHJLXYMXLPFWIQH-UHFFFAOYSA-N
XLogP0.92
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 8964907) is 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(C)Cc2cccs2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is HJLXYMXLPFWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/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.
What are the key properties of 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 350.44 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8964907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).