2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine

C11H9N5S — CID 140658163

IUPAC2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine
SMILESNc1csc2c(N)nc(-c3ccncc3)nc12
InChIInChI=1S/C11H9N5S/c12-7-5-17-9-8(7)15-11(16-10(9)13)6-1-3-14-4-2-6/h1-5H,12H2,(H2,13,15,16)
InChIKeyOIFGRUXOWYXSTQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.92
Rot. Bonds1

About 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine

2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine (PubChem CID 140658163) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine
PubChem CID140658163
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine
SMILESNc1csc2c(N)nc(-c3ccncc3)nc12
InChIInChI=1S/C11H9N5S/c12-7-5-17-9-8(7)15-11(16-10(9)13)6-1-3-14-4-2-6/h1-5H,12H2,(H2,13,15,16)
InChIKeyOIFGRUXOWYXSTQ-UHFFFAOYSA-N
XLogP1.92
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 13339933
6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 139144277
2-iodo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 149308070
tris(6-(4-pyridin-4-ylphenyl)-1,3,5-triazine-2,4-diamine);hexahydrate
CID 139144279
1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 123207423
2,4,6-tripyridin-4-ylpyrimidine
CID 46317152
2-bromo-4,6-dipyridin-4-yl-1,3,5-triazine
CID 118196223
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835
5-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 21404719
5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
CID 516630
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
2-pyridin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 53322563

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine?
The IUPAC name of 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine (CID 140658163) is 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine?
The canonical SMILES for 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine is Nc1csc2c(N)nc(-c3ccncc3)nc12.
What is the InChIKey of 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine?
The InChIKey is OIFGRUXOWYXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-7-5-17-9-8(7)15-11(16-10(9)13)6-1-3-14-4-2-6/h1-5H,12H2,(H2,13,15,16).
What are the key properties of 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine?
2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine has a molecular weight of 243.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylthieno[3,2-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 140658163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).