6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

C17H14F3N3 — CID 18685586

IUPAC6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1C
InChIInChI=1S/C17H14F3N3/c1-10-7-14-15(8-11(10)2)21-9-22-16(14)23-13-5-3-12(4-6-13)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyHZVCRDZWMMGHLT-UHFFFAOYSA-N
MW317.31 g/mol
LogP5.01
Rot. Bonds2

About 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 18685586) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID18685586
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1C
InChIInChI=1S/C17H14F3N3/c1-10-7-14-15(8-11(10)2)21-9-22-16(14)23-13-5-3-12(4-6-13)17(18,19)20/h3-9H,1-2H3,(H,21,22,23)
InChIKeyHZVCRDZWMMGHLT-UHFFFAOYSA-N
XLogP5.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spautin-1
CID 51037431
Ngd-8243
CID 11247522
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-(3-bromophenyl)benzo[g]quinazolin-4-amine
CID 5328245
N-Benzylquinazolin-4-amine
CID 616573
Senexin A
CID 56927063
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
8-(Pyrimidin-2-Ylamino)Naphthalene-2-Carboximidamide
CID 448610
5-Phenethylquinazoline-2,4-diamine
CID 490662
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 18685586) is 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is Cc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2cc1C.
What is the InChIKey of 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is HZVCRDZWMMGHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-10-7-14-15(8-11(10)2)21-9-22-16(14)23-13-5-3-12(4-6-13)17(18,19)20/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 317.31 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 18685586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).