N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

C19H15FN4S — CID 16553303

IUPACN-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C19H15FN4S/c1-11-12(2)25-19-16(11)18(22-15-7-5-14(20)6-8-15)23-17(24-19)13-4-3-9-21-10-13/h3-10H,1-2H3,(H,22,23,24)
InChIKeyQQFMVDKTKATJTH-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.25
Rot. Bonds3

About N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine

N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 16553303) has the molecular formula C19H15FN4S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID16553303
Molecular FormulaC19H15FN4S
Molecular Weight350.42 g/mol
Exact Mass350.10
IUPAC NameN-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2c1C
InChIInChI=1S/C19H15FN4S/c1-11-12(2)25-19-16(11)18(22-15-7-5-14(20)6-8-15)23-17(24-19)13-4-3-9-21-10-13/h3-10H,1-2H3,(H,22,23,24)
InChIKeyQQFMVDKTKATJTH-UHFFFAOYSA-N
XLogP5.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine (CID 16553303) is N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(-c3cccnc3)nc(Nc3ccc(F)cc3)c2c1C.
What is the InChIKey of N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QQFMVDKTKATJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S/c1-11-12(2)25-19-16(11)18(22-15-7-5-14(20)6-8-15)23-17(24-19)13-4-3-9-21-10-13/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine?
N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 16553303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).