4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine

C14H11ClFN3S — CID 95528672

IUPAC4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Cl)nc(Nc3ccccc3F)nc2s1
InChIInChI=1S/C14H11ClFN3S/c1-2-8-7-9-12(15)18-14(19-13(9)20-8)17-11-6-4-3-5-10(11)16/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyQGVAYNNWSRKJDW-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.79
Rot. Bonds3

About 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine

4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 95528672) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID95528672
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Cl)nc(Nc3ccccc3F)nc2s1
InChIInChI=1S/C14H11ClFN3S/c1-2-8-7-9-12(15)18-14(19-13(9)20-8)17-11-6-4-3-5-10(11)16/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyQGVAYNNWSRKJDW-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103334852
4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
CID 63663426
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
4-chloro-6-ethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 65144576
2-(2-bromo-3,4-difluorophenyl)-4-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 107532954
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
6-ethyl-2-(2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614303
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
4-chloro-2-(2,3-dihydro-1H-inden-1-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 65414689

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine (CID 95528672) is 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Cl)nc(Nc3ccccc3F)nc2s1.
What is the InChIKey of 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is QGVAYNNWSRKJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-2-8-7-9-12(15)18-14(19-13(9)20-8)17-11-6-4-3-5-10(11)16/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.78 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-(2-fluorophenyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95528672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).