N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H11F3N4S — CID 107494341

IUPACN'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncnc2ccsc12
InChIInChI=1S/C10H11F3N4S/c11-10(12,13)5-17(3-2-14)9-8-7(1-4-18-8)15-6-16-9/h1,4,6H,2-3,5,14H2
InChIKeyDBXACTDXSKBWEJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.02
Rot. Bonds4

About N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494341) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494341
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncnc2ccsc12
InChIInChI=1S/C10H11F3N4S/c11-10(12,13)5-17(3-2-14)9-8-7(1-4-18-8)15-6-16-9/h1,4,6H,2-3,5,14H2
InChIKeyDBXACTDXSKBWEJ-UHFFFAOYSA-N
XLogP2.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494341) is N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ncnc2ccsc12.
What is the InChIKey of N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DBXACTDXSKBWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c11-10(12,13)5-17(3-2-14)9-8-7(1-4-18-8)15-6-16-9/h1,4,6H,2-3,5,14H2.
What are the key properties of N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 276.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).