4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine

C17H21F3N4 — CID 121255074

IUPAC4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,21,22,23)
InChIKeyRURAFMHXRRFIKR-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.93
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine

4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine (PubChem CID 121255074) has the molecular formula C17H21F3N4 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine
PubChem CID121255074
Molecular FormulaC17H21F3N4
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine
SMILESCN(C)C1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,21,22,23)
InChIKeyRURAFMHXRRFIKR-UHFFFAOYSA-N
XLogP3.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine (CID 121255074) is 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine is CN(C)C1CCC(Nc2ncnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
The InChIKey is RURAFMHXRRFIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine?
4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine has a molecular weight of 338.38 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[6-(trifluoromethyl)quinazolin-4-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 121255074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).