N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

C24H22F3N7OS — CID 59507631

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7OS/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33)
InChIKeyMFWHRPHYUREIFE-UHFFFAOYSA-N
MW513.55 g/mol
LogP5.15
Rot. Bonds5

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 59507631) has the molecular formula C24H22F3N7OS and a molecular weight of 513.55 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID59507631
Molecular FormulaC24H22F3N7OS
Molecular Weight513.55 g/mol
Exact Mass513.16
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F
InChIInChI=1S/C24H22F3N7OS/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33)
InChIKeyMFWHRPHYUREIFE-UHFFFAOYSA-N
XLogP5.15
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.55
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (CID 59507631) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is Cc1c(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)nc1-c1cnc(N)cc1C(F)(F)F.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MFWHRPHYUREIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7OS/c1-14-20(16-12-29-19(28)11-17(16)24(25,26)27)31-22(34-7-9-35-10-8-34)32-21(14)33-23-30-18(13-36-23)15-5-3-2-4-6-15/h2-6,11-13H,7-10H2,1H3,(H2,28,29)(H,30,31,32,33).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 513.55 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59507631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).