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

C20H15F2N3S — CID 9207057

IUPAC6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C20H15F2N3S/c1-25(11-13-2-6-15(21)7-3-13)20-19-17(23-12-24-20)10-18(26-19)14-4-8-16(22)9-5-14/h2-10,12H,11H2,1H3
InChIKeyWKXKPPMGZAOJQU-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.27
Rot. Bonds4

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

6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 9207057) has the molecular formula C20H15F2N3S and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID9207057
Molecular FormulaC20H15F2N3S
Molecular Weight367.42 g/mol
Exact Mass367.10
IUPAC Name6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccc(F)cc1)c1ncnc2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C20H15F2N3S/c1-25(11-13-2-6-15(21)7-3-13)20-19-17(23-12-24-20)10-18(26-19)14-4-8-16(22)9-5-14/h2-10,12H,11H2,1H3
InChIKeyWKXKPPMGZAOJQU-UHFFFAOYSA-N
XLogP5.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine (CID 9207057) is 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is CN(Cc1ccc(F)cc1)c1ncnc2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is WKXKPPMGZAOJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3S/c1-25(11-13-2-6-15(21)7-3-13)20-19-17(23-12-24-20)10-18(26-19)14-4-8-16(22)9-5-14/h2-10,12H,11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine?
6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 9207057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).