4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

C20H24F3N5S — CID 122190191

IUPAC4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nc(N(C)C)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12
InChIInChI=1S/C20H24F3N5S/c1-27(2)11-5-10-24-18-17-15(25-19(26-18)28(3)4)12-16(29-17)13-6-8-14(9-7-13)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,26)
InChIKeyWAMLYVDMYNUKQH-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.81
Rot. Bonds7

About 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 122190191) has the molecular formula C20H24F3N5S and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID122190191
Molecular FormulaC20H24F3N5S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCN(C)CCCNc1nc(N(C)C)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12
InChIInChI=1S/C20H24F3N5S/c1-27(2)11-5-10-24-18-17-15(25-19(26-18)28(3)4)12-16(29-17)13-6-8-14(9-7-13)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,26)
InChIKeyWAMLYVDMYNUKQH-UHFFFAOYSA-N
XLogP4.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 122190191) is 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is CN(C)CCCNc1nc(N(C)C)nc2cc(-c3ccc(C(F)(F)F)cc3)sc12.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is WAMLYVDMYNUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5S/c1-27(2)11-5-10-24-18-17-15(25-19(26-18)28(3)4)12-16(29-17)13-6-8-14(9-7-13)20(21,22)23/h6-9,12H,5,10-11H2,1-4H3,(H,24,25,26).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 423.51 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N,2-N-dimethyl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 122190191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).