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

C16H22N4O3S — CID 8718555

IUPAC6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O3S/c1-3-7-20-14(17)13(15(22)18-16(20)23)12(21)10-19(4-2)9-11-6-5-8-24-11/h5-6,8H,3-4,7,9-10,17H2,1-2H3,(H,18,22,23)
InChIKeySZXPBFUCKLJMTQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.30
Rot. Bonds8

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

6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 8718555) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID8718555
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C16H22N4O3S/c1-3-7-20-14(17)13(15(22)18-16(20)23)12(21)10-19(4-2)9-11-6-5-8-24-11/h5-6,8H,3-4,7,9-10,17H2,1-2H3,(H,18,22,23)
InChIKeySZXPBFUCKLJMTQ-UHFFFAOYSA-N
XLogP1.30
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione (CID 8718555) is 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN(CC)Cc2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is SZXPBFUCKLJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-3-7-20-14(17)13(15(22)18-16(20)23)12(21)10-19(4-2)9-11-6-5-8-24-11/h5-6,8H,3-4,7,9-10,17H2,1-2H3,(H,18,22,23).
What are the key properties of 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 350.44 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8718555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).