4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H13ClFN3S — CID 95507149

IUPAC4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyNEXRSVNRLPJWSF-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.89
Rot. Bonds3

About 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 95507149) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID95507149
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1
InChIInChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyNEXRSVNRLPJWSF-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 95507149) is 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Cl)c2c(-c3ccc(F)cc3)c(C)sc2n1.
What is the InChIKey of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NEXRSVNRLPJWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-3-18-15-19-13(16)12-11(8(2)21-14(12)20-15)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 321.81 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 95507149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).