6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine

C12H11ClF3N3 — CID 64981017

IUPAC6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCNc1nc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C12H11ClF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19)
InChIKeyBHIWINMZKLNMTN-UHFFFAOYSA-N
MW289.69 g/mol
LogP4.12
Rot. Bonds3

About 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine

6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 64981017) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID64981017
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCCCNc1nc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C12H11ClF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19)
InChIKeyBHIWINMZKLNMTN-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine (CID 64981017) is 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine is CCCNc1nc(C(F)(F)F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is BHIWINMZKLNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-2-5-17-10-8-6-7(13)3-4-9(8)18-11(19-10)12(14,15)16/h3-4,6H,2,5H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine?
6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 289.69 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 64981017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).