2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine

C23H19F3N6O — CID 4067713

IUPAC2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)nc(C)n2)cn1
InChIInChI=1S/C23H19F3N6O/c1-14-9-29-19(12-28-14)13-30-22-8-21(31-15(2)32-22)18-7-17(10-27-11-18)16-3-5-20(6-4-16)33-23(24,25)26/h3-12H,13H2,1-2H3,(H,30,31,32)
InChIKeyYXCHCZLUUYHURZ-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.12
Rot. Bonds6

About 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine

2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine (PubChem CID 4067713) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
PubChem CID4067713
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)nc(C)n2)cn1
InChIInChI=1S/C23H19F3N6O/c1-14-9-29-19(12-28-14)13-30-22-8-21(31-15(2)32-22)18-7-17(10-27-11-18)16-3-5-20(6-4-16)33-23(24,25)26/h3-12H,13H2,1-2H3,(H,30,31,32)
InChIKeyYXCHCZLUUYHURZ-UHFFFAOYSA-N
XLogP5.12
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]-2-(2-Methoxyphenoxy)pyrimidine
CID 15872406
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
SoRI 8897
CID 72509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine (CID 4067713) is 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(-c3cncc(-c4ccc(OC(F)(F)F)cc4)c3)nc(C)n2)cn1.
What is the InChIKey of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is YXCHCZLUUYHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-14-9-29-19(12-28-14)13-30-22-8-21(31-15(2)32-22)18-7-17(10-27-11-18)16-3-5-20(6-4-16)33-23(24,25)26/h3-12H,13H2,1-2H3,(H,30,31,32).
What are the key properties of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine?
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 452.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 4067713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).