5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

C24H21F3N6O — CID 11190516

IUPAC5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cn2)nc(N2CCOCC2)nc1-c1ccc2cccnc2c1
InChIInChI=1S/C24H21F3N6O/c1-15-21(17-5-4-16-3-2-8-28-19(16)13-17)31-23(33-9-11-34-12-10-33)32-22(15)30-20-7-6-18(14-29-20)24(25,26)27/h2-8,13-14H,9-12H2,1H3,(H,29,30,31,32)
InChIKeyQERBFNAJVZHYTI-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.99
Rot. Bonds4

About 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine

5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 11190516) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
PubChem CID11190516
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
SMILESCc1c(Nc2ccc(C(F)(F)F)cn2)nc(N2CCOCC2)nc1-c1ccc2cccnc2c1
InChIInChI=1S/C24H21F3N6O/c1-15-21(17-5-4-16-3-2-8-28-19(16)13-17)31-23(33-9-11-34-12-10-33)32-22(15)30-20-7-6-18(14-29-20)24(25,26)27/h2-8,13-14H,9-12H2,1H3,(H,29,30,31,32)
InChIKeyQERBFNAJVZHYTI-UHFFFAOYSA-N
XLogP4.99
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine (CID 11190516) is 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is Cc1c(Nc2ccc(C(F)(F)F)cn2)nc(N2CCOCC2)nc1-c1ccc2cccnc2c1.
What is the InChIKey of 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is QERBFNAJVZHYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c1-15-21(17-5-4-16-3-2-8-28-19(16)13-17)31-23(33-9-11-34-12-10-33)32-22(15)30-20-7-6-18(14-29-20)24(25,26)27/h2-8,13-14H,9-12H2,1H3,(H,29,30,31,32).
What are the key properties of 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine?
5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 466.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-morpholin-4-yl-6-quinolin-7-yl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 11190516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).