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

C16H15ClFN3S — CID 82066429

IUPAC2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCc3ccc(F)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H15ClFN3S/c1-2-12-9-13-14(20-16(17)21-15(13)22-12)19-8-7-10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyFIVAECRQLZMMBU-UHFFFAOYSA-N
MW335.84 g/mol
LogP4.70
Rot. Bonds5

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

2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 82066429) has the molecular formula C16H15ClFN3S and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID82066429
Molecular FormulaC16H15ClFN3S
Molecular Weight335.84 g/mol
Exact Mass335.07
IUPAC Name2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCc3ccc(F)cc3)nc(Cl)nc2s1
InChIInChI=1S/C16H15ClFN3S/c1-2-12-9-13-14(20-16(17)21-15(13)22-12)19-8-7-10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20,21)
InChIKeyFIVAECRQLZMMBU-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 93214217
2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106405530
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411
2-chloro-6-ethyl-N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 93214219
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 18460510
2-chloro-N-(3-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 82066013
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-N-(3-chloro-5-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 107368867
4-chloro-6-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidine;6-ethyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 87896161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 82066429) is 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCCc3ccc(F)cc3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FIVAECRQLZMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3S/c1-2-12-9-13-14(20-16(17)21-15(13)22-12)19-8-7-10-3-5-11(18)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,19,20,21).
What are the key properties of 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 335.84 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 82066429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).