N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

C20H26N4S — CID 68602580

IUPACN'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccccc1)c1ncnc2scc(C)c12
InChIInChI=1S/C20H26N4S/c1-4-23(5-2)11-12-24(13-17-9-7-6-8-10-17)19-18-16(3)14-25-20(18)22-15-21-19/h6-10,14-15H,4-5,11-13H2,1-3H3
InChIKeyAIAQKTBTYSWYDH-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.35
Rot. Bonds8

About N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine

N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 68602580) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID68602580
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1ccccc1)c1ncnc2scc(C)c12
InChIInChI=1S/C20H26N4S/c1-4-23(5-2)11-12-24(13-17-9-7-6-8-10-17)19-18-16(3)14-25-20(18)22-15-21-19/h6-10,14-15H,4-5,11-13H2,1-3H3
InChIKeyAIAQKTBTYSWYDH-UHFFFAOYSA-N
XLogP4.35
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 68602580) is N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is CCN(CC)CCN(Cc1ccccc1)c1ncnc2scc(C)c12.
What is the InChIKey of N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is AIAQKTBTYSWYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-4-23(5-2)11-12-24(13-17-9-7-6-8-10-17)19-18-16(3)14-25-20(18)22-15-21-19/h6-10,14-15H,4-5,11-13H2,1-3H3.
What are the key properties of N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 354.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N,N-diethyl-N'-(5-methylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 68602580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).