N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C20H17ClN4S — CID 171336432

IUPACN-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc(Cl)cc3C)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H17ClN4S/c1-3-14-11-15-18(23-16-8-7-13(21)10-12(16)2)24-19(25-20(15)26-14)17-6-4-5-9-22-17/h4-11H,3H2,1-2H3,(H,23,24,25)
InChIKeyNFMPFSAZOZTVGV-UHFFFAOYSA-N
MW380.90 g/mol
LogP6.02
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 171336432) has the molecular formula C20H17ClN4S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID171336432
Molecular FormulaC20H17ClN4S
Molecular Weight380.90 g/mol
Exact Mass380.09
IUPAC NameN-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc(Cl)cc3C)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H17ClN4S/c1-3-14-11-15-18(23-16-8-7-13(21)10-12(16)2)24-19(25-20(15)26-14)17-6-4-5-9-22-17/h4-11H,3H2,1-2H3,(H,23,24,25)
InChIKeyNFMPFSAZOZTVGV-UHFFFAOYSA-N
XLogP6.02
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.90
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[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-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 93214032
N-[2-(1,3-benzodioxol-5-yl)ethyl]-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460066
2-benzyl-N-(2,5-dichlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964768
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
N,6-diethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615625
N-(3-chlorophenyl)-6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 16627283
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
4-chloro-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;ethyl 2-amino-5-ethylthiophene-3-carboxylate
CID 159601133
N-(2-chlorophenyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103334852
N-phenyl-2-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 151469506
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 171336432) is N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3ccc(Cl)cc3C)nc(-c3ccccn3)nc2s1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NFMPFSAZOZTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4S/c1-3-14-11-15-18(23-16-8-7-13(21)10-12(16)2)24-19(25-20(15)26-14)17-6-4-5-9-22-17/h4-11H,3H2,1-2H3,(H,23,24,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 380.90 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-ethyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171336432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).