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

C14H11ClFN3S — CID 46362698

IUPACN-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc(F)cc3Cl)ncnc2s1
InChIInChI=1S/C14H11ClFN3S/c1-2-9-6-10-13(17-7-18-14(10)20-9)19-12-4-3-8(16)5-11(12)15/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyYMRGWPPEUCXDNE-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.79
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 46362698) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID46362698
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC NameN-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(Nc3ccc(F)cc3Cl)ncnc2s1
InChIInChI=1S/C14H11ClFN3S/c1-2-9-6-10-13(17-7-18-14(10)20-9)19-12-4-3-8(16)5-11(12)15/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyYMRGWPPEUCXDNE-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine (CID 46362698) is N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(Nc3ccc(F)cc3Cl)ncnc2s1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YMRGWPPEUCXDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-2-9-6-10-13(17-7-18-14(10)20-9)19-12-4-3-8(16)5-11(12)15/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-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 N-(2-chloro-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46362698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).