N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine

C26H24F3N5O — CID 69307090

IUPACN-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1nc(C(F)(F)F)ccc1-c1cc(Oc2ccc3cccnc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C26H24F3N5O/c1-34(18-7-3-2-4-8-18)25-20(11-12-23(33-25)26(27,28)29)22-15-24(32-16-31-22)35-19-10-9-17-6-5-13-30-21(17)14-19/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVPNPZORMOWASQZ-UHFFFAOYSA-N
MW479.51 g/mol
LogP6.67
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine

N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 69307090) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID69307090
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC NameN-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(c1nc(C(F)(F)F)ccc1-c1cc(Oc2ccc3cccnc3c2)ncn1)C1CCCCC1
InChIInChI=1S/C26H24F3N5O/c1-34(18-7-3-2-4-8-18)25-20(11-12-23(33-25)26(27,28)29)22-15-24(32-16-31-22)35-19-10-9-17-6-5-13-30-21(17)14-19/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyVPNPZORMOWASQZ-UHFFFAOYSA-N
XLogP6.67
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 69307090) is N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine is CN(c1nc(C(F)(F)F)ccc1-c1cc(Oc2ccc3cccnc3c2)ncn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VPNPZORMOWASQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-34(18-7-3-2-4-8-18)25-20(11-12-23(33-25)26(27,28)29)22-15-24(32-16-31-22)35-19-10-9-17-6-5-13-30-21(17)14-19/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 479.51 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(6-quinolin-7-yloxypyrimidin-4-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 69307090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).