2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine

C15H19F3N4 — CID 154835239

IUPAC2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H19F3N4/c1-14(2,22(3)4)9-19-12-10-7-5-6-8-11(10)20-13(21-12)15(16,17)18/h5-8H,9H2,1-4H3,(H,19,20,21)
InChIKeyZQKLWWPYLLEIHU-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.40
Rot. Bonds4

About 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine

2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine (PubChem CID 154835239) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
PubChem CID154835239
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C15H19F3N4/c1-14(2,22(3)4)9-19-12-10-7-5-6-8-11(10)20-13(21-12)15(16,17)18/h5-8H,9H2,1-4H3,(H,19,20,21)
InChIKeyZQKLWWPYLLEIHU-UHFFFAOYSA-N
XLogP3.40
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine (CID 154835239) is 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine is CN(C)C(C)(C)CNc1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine?
The InChIKey is ZQKLWWPYLLEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-14(2,22(3)4)9-19-12-10-7-5-6-8-11(10)20-13(21-12)15(16,17)18/h5-8H,9H2,1-4H3,(H,19,20,21).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine has a molecular weight of 312.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine is sourced from PubChem (CID 154835239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).