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

C15H13ClFN3S — CID 63618711

IUPAC2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Cl)ccc2F)nc2sc(C)cc12
InChIInChI=1S/C15H13ClFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-7-9(16)4-5-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyMFNOKVMSABZZFK-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.89
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63618711) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63618711
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Cl)ccc2F)nc2sc(C)cc12
InChIInChI=1S/C15H13ClFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-7-9(16)4-5-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyMFNOKVMSABZZFK-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 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 63618711) is 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2cc(Cl)ccc2F)nc2sc(C)cc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MFNOKVMSABZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-3-18-13-11-6-8(2)21-15(11)20-14(19-13)10-7-9(16)4-5-12(10)17/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-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 2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63618711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).