2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine

C13H15F3N4 — CID 80778175

IUPAC2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C13H15F3N4/c1-2-7-17-12-19-10-6-4-3-5-9(10)11(20-12)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyUUXLKOACUPMVGU-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.43
Rot. Bonds5

About 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine

2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine (PubChem CID 80778175) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
PubChem CID80778175
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)c2ccccc2n1
InChIInChI=1S/C13H15F3N4/c1-2-7-17-12-19-10-6-4-3-5-9(10)11(20-12)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyUUXLKOACUPMVGU-UHFFFAOYSA-N
XLogP3.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine (CID 80778175) is 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine is CCCNc1nc(NCC(F)(F)F)c2ccccc2n1.
What is the InChIKey of 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
The InChIKey is UUXLKOACUPMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-7-17-12-19-10-6-4-3-5-9(10)11(20-12)18-8-13(14,15)16/h3-6H,2,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine?
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine has a molecular weight of 284.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80778175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).