6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine

C21H17F3N6O — CID 22643255

IUPAC6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine
SMILESCOc1ccc(-c2cc(N)c3cc(Nc4cc(C(F)(F)F)nc(N)n4)ccc3n2)cc1
InChIInChI=1S/C21H17F3N6O/c1-31-13-5-2-11(3-6-13)17-9-15(25)14-8-12(4-7-16(14)28-17)27-19-10-18(21(22,23)24)29-20(26)30-19/h2-10H,1H3,(H2,25,28)(H3,26,27,29,30)
InChIKeyQRDIGCHJFQFENU-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.63
Rot. Bonds4

About 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine

6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine (PubChem CID 22643255) has the molecular formula C21H17F3N6O and a molecular weight of 426.40 g/mol. Its IUPAC name is 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine
PubChem CID22643255
Molecular FormulaC21H17F3N6O
Molecular Weight426.40 g/mol
Exact Mass426.14
IUPAC Name6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine
SMILESCOc1ccc(-c2cc(N)c3cc(Nc4cc(C(F)(F)F)nc(N)n4)ccc3n2)cc1
InChIInChI=1S/C21H17F3N6O/c1-31-13-5-2-11(3-6-13)17-9-15(25)14-8-12(4-7-16(14)28-17)27-19-10-18(21(22,23)24)29-20(26)30-19/h2-10H,1H3,(H2,25,28)(H3,26,27,29,30)
InChIKeyQRDIGCHJFQFENU-UHFFFAOYSA-N
XLogP4.63
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine with MolForge

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Related Compounds

6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
CID 22643181
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-chlorophenyl)quinoline-4,6-diamine
CID 22643157
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
CID 22643261
6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643185
4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563598
4-methoxy-1-N-[6-methoxy-4-(trifluoromethyl)quinolin-2-yl]benzene-1,3-diamine;hydrochloride
CID 171779500
4-N-(3,5-difluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563699
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
4-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]benzonitrile
CID 114563683
N,2-bis(4-methoxyphenyl)quinolin-4-amine
CID 10981160
2-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 121284743
6-methoxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 135018947

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine?
The IUPAC name of 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine (CID 22643255) is 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine.
What is the SMILES notation for 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine?
The canonical SMILES for 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine is COc1ccc(-c2cc(N)c3cc(Nc4cc(C(F)(F)F)nc(N)n4)ccc3n2)cc1.
What is the InChIKey of 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine?
The InChIKey is QRDIGCHJFQFENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O/c1-31-13-5-2-11(3-6-13)17-9-15(25)14-8-12(4-7-16(14)28-17)27-19-10-18(21(22,23)24)29-20(26)30-19/h2-10H,1H3,(H2,25,28)(H3,26,27,29,30).
What are the key properties of 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine?
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine has a molecular weight of 426.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine is sourced from PubChem (CID 22643255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).