2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine

C20H15F3N8 — CID 117075580

IUPAC2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCc1nc(Nc2cc(Nc3ccccn3)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1
InChIInChI=1S/C20H15F3N8/c1-12-28-15(13-8-24-11-25-9-13)6-19(29-12)31-18-7-16(14(10-27-18)20(21,22)23)30-17-4-2-3-5-26-17/h2-11H,1H3,(H2,26,27,28,29,30,31)
InChIKeyCGTBKOABGKUBPM-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.54
Rot. Bonds5

About 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine

2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 117075580) has the molecular formula C20H15F3N8 and a molecular weight of 424.39 g/mol. Its IUPAC name is 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
PubChem CID117075580
Molecular FormulaC20H15F3N8
Molecular Weight424.39 g/mol
Exact Mass424.14
IUPAC Name2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine
SMILESCc1nc(Nc2cc(Nc3ccccn3)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1
InChIInChI=1S/C20H15F3N8/c1-12-28-15(13-8-24-11-25-9-13)6-19(29-12)31-18-7-16(14(10-27-18)20(21,22)23)30-17-4-2-3-5-26-17/h2-11H,1H3,(H2,26,27,28,29,30,31)
InChIKeyCGTBKOABGKUBPM-UHFFFAOYSA-N
XLogP4.54
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 117075582
2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide
CID 58154968
5-[[4-(pyridin-2-ylamino)-5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-dihydroinden-2-one
CID 58155038
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
2-methyl-6-N-(pyridin-3-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112873466
N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709116
2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-5-morpholin-4-ylaniline;bis(2-N-(2-methyl-5-morpholin-4-ylphenyl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine)
CID 159187874
6-(5-bromo-3-pyridinyl)-2-methyl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3356145
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-2-(trifluoromethyl)benzamide
CID 141117667
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122315010
2-methyl-N-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3590842
N-[1-[4-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-yl]imidazol-4-yl]pyridin-2-amine
CID 150372248

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine (CID 117075580) is 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine is Cc1nc(Nc2cc(Nc3ccccn3)c(C(F)(F)F)cn2)cc(-c2cncnc2)n1.
What is the InChIKey of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
The InChIKey is CGTBKOABGKUBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N8/c1-12-28-15(13-8-24-11-25-9-13)6-19(29-12)31-18-7-16(14(10-27-18)20(21,22)23)30-17-4-2-3-5-26-17/h2-11H,1H3,(H2,26,27,28,29,30,31).
What are the key properties of 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine?
2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 424.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methyl-6-pyrimidin-5-ylpyrimidin-4-yl)-4-N-pyridin-2-yl-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 117075580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).