4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

C19H24FN9O — CID 58367411

IUPAC4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCn1cnc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24FN9O/c1-3-28-11-15(23-12-28)8-16-25-18(24-13(2)17-21-9-14(20)10-22-17)27-19(26-16)29-4-6-30-7-5-29/h9-13H,3-8H2,1-2H3,(H,24,25,26,27)/t13-/m0/s1
InChIKeyQNDXOUCIJQYKJF-ZDUSSCGKSA-N
MW413.46 g/mol
LogP1.62
Rot. Bonds7

About 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 58367411) has the molecular formula C19H24FN9O and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID58367411
Molecular FormulaC19H24FN9O
Molecular Weight413.46 g/mol
Exact Mass413.21
IUPAC Name4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCn1cnc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24FN9O/c1-3-28-11-15(23-12-28)8-16-25-18(24-13(2)17-21-9-14(20)10-22-17)27-19(26-16)29-4-6-30-7-5-29/h9-13H,3-8H2,1-2H3,(H,24,25,26,27)/t13-/m0/s1
InChIKeyQNDXOUCIJQYKJF-ZDUSSCGKSA-N
XLogP1.62
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1,3-thiazol-2-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 75048165
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methyl-4-[(1-methylimidazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 58398880
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-[(1-methylimidazol-4-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 58398865
N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-[(1-methylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-2-amine
CID 58398884
5-fluoro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 25052652
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
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
4-(benzhydrylideneamino)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-[(1-methylimidazol-4-yl)methyl]pyrimidin-2-amine
CID 58398914
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
N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 3080135
2-N-butan-2-yl-4-N-ethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765648

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 58367411) is 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCn1cnc(Cc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is QNDXOUCIJQYKJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24FN9O/c1-3-28-11-15(23-12-28)8-16-25-18(24-13(2)17-21-9-14(20)10-22-17)27-19(26-16)29-4-6-30-7-5-29/h9-13H,3-8H2,1-2H3,(H,24,25,26,27)/t13-/m0/s1.
What are the key properties of 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 413.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylimidazol-4-yl)methyl]-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 58367411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).