2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine

C20H25F2N9O2 — CID 67300318

IUPAC2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2CCOC(C)C2)n1)c1ncc(F)cc1F
InChIInChI=1S/C20H25F2N9O2/c1-12-8-31(4-5-33-12)20-28-18(27-19(29-20)26-16-9-30(2)11-24-16)25-15(10-32-3)17-14(22)6-13(21)7-23-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,25,26,27,28,29)/t12?,15-/m0/s1
InChIKeyASEWPZNGHIGBLJ-CVRLYYSRSA-N
MW461.48 g/mol
LogP2.05
Rot. Bonds8

About 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine

2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 67300318) has the molecular formula C20H25F2N9O2 and a molecular weight of 461.48 g/mol. Its IUPAC name is 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID67300318
Molecular FormulaC20H25F2N9O2
Molecular Weight461.48 g/mol
Exact Mass461.21
IUPAC Name2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCOC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2CCOC(C)C2)n1)c1ncc(F)cc1F
InChIInChI=1S/C20H25F2N9O2/c1-12-8-31(4-5-33-12)20-28-18(27-19(29-20)26-16-9-30(2)11-24-16)25-15(10-32-3)17-14(22)6-13(21)7-23-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,25,26,27,28,29)/t12?,15-/m0/s1
InChIKeyASEWPZNGHIGBLJ-CVRLYYSRSA-N
XLogP2.05
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 46175641
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67017235
4-chloro-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-6-[(1-methylimidazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 58367423
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 67300476
4-N-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-5-fluoro-2-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25103039
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 67017276
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-6-(3-methoxyazetidin-1-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 71030528
4-N-[1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-6-(2,2-dimethylmorpholin-4-yl)-4-N-(1-methylimidazol-4-yl)-1,3,5-triazine-2,4-diamine
CID 77262490
2-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 44548233
6-(2-ethylmorpholin-4-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753736
2-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]-4-N-(1-methylimidazol-4-yl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 70900712
2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-4-N-[1-(2-phenylethyl)imidazol-4-yl]-1,3,5-triazine-2,4-diamine
CID 67300214

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine (CID 67300318) is 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine is COC[C@H](Nc1nc(Nc2cn(C)cn2)nc(N2CCOC(C)C2)n1)c1ncc(F)cc1F.
What is the InChIKey of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ASEWPZNGHIGBLJ-CVRLYYSRSA-N. The full InChI is InChI=1S/C20H25F2N9O2/c1-12-8-31(4-5-33-12)20-28-18(27-19(29-20)26-16-9-30(2)11-24-16)25-15(10-32-3)17-14(22)6-13(21)7-23-17/h6-7,9,11-12,15H,4-5,8,10H2,1-3H3,(H2,25,26,27,28,29)/t12?,15-/m0/s1.
What are the key properties of 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine?
2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 461.48 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-1-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(1-methylimidazol-4-yl)-6-(2-methylmorpholin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67300318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).