5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine

C14H10F3N5O — CID 22326794

IUPAC5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cnc3ccc(OC(F)(F)F)cc3c2)c(N)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)23-9-1-2-11-7(4-9)3-8(5-20-11)10-6-21-13(19)22-12(10)18/h1-6H,(H4,18,19,21,22)
InChIKeyKPGDHWKARGXWEC-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.75
Rot. Bonds2

About 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine

5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine (PubChem CID 22326794) has the molecular formula C14H10F3N5O and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine
PubChem CID22326794
Molecular FormulaC14H10F3N5O
Molecular Weight321.26 g/mol
Exact Mass321.08
IUPAC Name5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cnc3ccc(OC(F)(F)F)cc3c2)c(N)n1
InChIInChI=1S/C14H10F3N5O/c15-14(16,17)23-9-1-2-11-7(4-9)3-8(5-20-11)10-6-21-13(19)22-12(10)18/h1-6H,(H4,18,19,21,22)
InChIKeyKPGDHWKARGXWEC-UHFFFAOYSA-N
XLogP2.75
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methoxyquinazoline
CID 13126887
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
6-[(2-Iodo-5-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481092
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinazolin-2-amine
CID 10068521

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine (CID 22326794) is 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine is Nc1ncc(-c2cnc3ccc(OC(F)(F)F)cc3c2)c(N)n1.
What is the InChIKey of 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is KPGDHWKARGXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O/c15-14(16,17)23-9-1-2-11-7(4-9)3-8(5-20-11)10-6-21-13(19)22-12(10)18/h1-6H,(H4,18,19,21,22).
What are the key properties of 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine?
5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 321.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethoxy)quinolin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 22326794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).