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

C10H7ClF3N3 — CID 64981065

IUPAC6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClF3N3/c1-15-8-6-4-5(11)2-3-7(6)16-9(17-8)10(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeyNZFMTWPPFNTNJP-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.34
Rot. Bonds1

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

6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 64981065) has the molecular formula C10H7ClF3N3 and a molecular weight of 261.63 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID64981065
Molecular FormulaC10H7ClF3N3
Molecular Weight261.63 g/mol
Exact Mass261.03
IUPAC Name6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCNc1nc(C(F)(F)F)nc2ccc(Cl)cc12
InChIInChI=1S/C10H7ClF3N3/c1-15-8-6-4-5(11)2-3-7(6)16-9(17-8)10(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeyNZFMTWPPFNTNJP-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 64981065) is 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine is CNc1nc(C(F)(F)F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is NZFMTWPPFNTNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3/c1-15-8-6-4-5(11)2-3-7(6)16-9(17-8)10(12,13)14/h2-4H,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine?
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 261.63 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 64981065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).