2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide

C45H57F6N11O4 — CID 158516761

IUPAC2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F.Cc1cnc(NC(=O)CN2CCOCC2)nc1
InChIInChI=1S/C13H16F3N3O2.C11H16N4O2.C8H8F3N.C7H9N.C6H8N2/c1-9-7-17-11(6-10(9)13(14,15)16)18-12(20)8-19-2-4-21-5-3-19;1-9-6-12-11(13-7-9)14-10(16)8-15-2-4-17-5-3-15;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h6-7H,2-5,8H2,1H3,(H,17,18,20);6-7H,2-5,8H2,1H3,(H,12,13,14,16);3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyHLSJMKSOCLYDBK-UHFFFAOYSA-N
MW930.01 g/mol
LogP7.24
Rot. Bonds6

About 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide

2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 158516761) has the molecular formula C45H57F6N11O4 and a molecular weight of 930.01 g/mol. Its IUPAC name is 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID158516761
Molecular FormulaC45H57F6N11O4
Molecular Weight930.01 g/mol
Exact Mass929.45
IUPAC Name2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F.Cc1cnc(NC(=O)CN2CCOCC2)nc1
InChIInChI=1S/C13H16F3N3O2.C11H16N4O2.C8H8F3N.C7H9N.C6H8N2/c1-9-7-17-11(6-10(9)13(14,15)16)18-12(20)8-19-2-4-21-5-3-19;1-9-6-12-11(13-7-9)14-10(16)8-15-2-4-17-5-3-15;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h6-7H,2-5,8H2,1H3,(H,17,18,20);6-7H,2-5,8H2,1H3,(H,12,13,14,16);3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyHLSJMKSOCLYDBK-UHFFFAOYSA-N
XLogP7.24
TPSA173.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.01
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

Buparlisib
CID 16654980
4-[6-[(4,4-Dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587341
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873224
2-N-(2,4-difluorophenyl)-6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145971580
2-morpholino-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 24783656
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
N-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl]acetamide
CID 46202976
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)urea
CID 46884584
N-[4-[5,6,7,8-Tetrahydro-4-(4-morpholinyl)-7-(2-pyrimidinyl)pyrido[3,4-d]pyrimidin-2-yl]phenyl]-2-pyrimidinamine
CID 59239271
1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
CID 59239521
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CID 59507788
1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3-phenylimidazolidin-2-one
CID 59507806

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide (CID 158516761) is 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide is Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.Cc1cnc(NC(=O)CN2CCOCC2)cc1C(F)(F)F.Cc1cnc(NC(=O)CN2CCOCC2)nc1.
What is the InChIKey of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is HLSJMKSOCLYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2.C11H16N4O2.C8H8F3N.C7H9N.C6H8N2/c1-9-7-17-11(6-10(9)13(14,15)16)18-12(20)8-19-2-4-21-5-3-19;1-9-6-12-11(13-7-9)14-10(16)8-15-2-4-17-5-3-15;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-3-4-7(2)8-5-6;1-5-3-7-6(2)8-4-5/h6-7H,2-5,8H2,1H3,(H,17,18,20);6-7H,2-5,8H2,1H3,(H,12,13,14,16);3-4H,1-2H3;3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide?
2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 930.01 g/mol, XLogP of 7.24, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-4-(trifluoromethyl)pyridine;N-(5-methylpyrimidin-2-yl)-2-morpholin-4-ylacetamide;N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 158516761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).