N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

C13H12N4S — CID 2509600

IUPACN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3sccc23)nc1
InChIInChI=1S/C13H12N4S/c1-2-6-14-10(3-1)4-7-15-12-11-5-8-18-13(11)17-9-16-12/h1-3,5-6,8-9H,4,7H2,(H,15,16,17)
InChIKeyLSQJEOPRLSUIRA-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.74
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine

N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2509600) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2509600
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(CCNc2ncnc3sccc23)nc1
InChIInChI=1S/C13H12N4S/c1-2-6-14-10(3-1)4-7-15-12-11-5-8-18-13(11)17-9-16-12/h1-3,5-6,8-9H,4,7H2,(H,15,16,17)
InChIKeyLSQJEOPRLSUIRA-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
1-{5-[2-(Thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea
CID 24880024
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Methylphenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138109

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2509600) is N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is c1ccc(CCNc2ncnc3sccc23)nc1.
What is the InChIKey of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LSQJEOPRLSUIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-6-14-10(3-1)4-7-15-12-11-5-8-18-13(11)17-9-16-12/h1-3,5-6,8-9H,4,7H2,(H,15,16,17).
What are the key properties of N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2509600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).