5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C18H22F3N5O — CID 145100358

IUPAC5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N5O/c1-17(2,3)14-9-13(24-16(25-14)26-4-6-27-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,4-7H2,1-3H3,(H2,22,23)
InChIKeyGIJZZPGHSPXGNC-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.27
Rot. Bonds2

About 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine

5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 145100358) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID145100358
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N5O/c1-17(2,3)14-9-13(24-16(25-14)26-4-6-27-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,4-7H2,1-3H3,(H2,22,23)
InChIKeyGIJZZPGHSPXGNC-UHFFFAOYSA-N
XLogP3.27
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
5-[2-morpholin-4-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507894
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-tert-butylbenzenesulfonamide
CID 59507814
1-[5-[[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-2-pyridinyl]ethane-1,1-diol
CID 70848217
5-[6-(2-methyl-1-methylsulfonylpropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428563
5-[6-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 162557599
5-[4-(2,6-dimethylmorpholin-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 76807790
5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507810
5-[2-morpholin-4-yl-6-(3-phenylmorpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 59507653

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 145100358) is 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CC(C)(C)c1cc(-c2cnc(N)cc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GIJZZPGHSPXGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-17(2,3)14-9-13(24-16(25-14)26-4-6-27-7-5-26)11-10-23-15(22)8-12(11)18(19,20)21/h8-10H,4-7H2,1-3H3,(H2,22,23).
What are the key properties of 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 381.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 145100358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).