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

C17H20FN9OS — CID 75048165

IUPAC2-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
SMILESCc1cnc(Nc2nc(NC(C)c3ncc(F)cn3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C17H20FN9OS/c1-10-7-21-17(29-10)26-15-23-14(22-11(2)13-19-8-12(18)9-20-13)24-16(25-15)27-3-5-28-6-4-27/h7-9,11H,3-6H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAJHRSQYSLUUMKB-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.32
Rot. Bonds6

About 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

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 (PubChem CID 75048165) has the molecular formula C17H20FN9OS and a molecular weight of 417.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID75048165
Molecular FormulaC17H20FN9OS
Molecular Weight417.47 g/mol
Exact Mass417.15
IUPAC Name2-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
SMILESCc1cnc(Nc2nc(NC(C)c3ncc(F)cn3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C17H20FN9OS/c1-10-7-21-17(29-10)26-15-23-14(22-11(2)13-19-8-12(18)9-20-13)24-16(25-15)27-3-5-28-6-4-27/h7-9,11H,3-6H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyAJHRSQYSLUUMKB-UHFFFAOYSA-N
XLogP2.32
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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-[(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-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-6-methoxy-4-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 25102938
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
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-(4-fluorophenyl)ethyl]-4-N-(1-methylimidazol-4-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 67017276
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
5-[(2,6-dimethylanilino)methyl]-N-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine
CID 90800051
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
2-[[6-chloro-2-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 86644131
5-methyl-N-[4-[(E)-2-phenylethenyl]-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
CID 88591385
5-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-2-methyl-7-N-(1-methylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 67331638

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc(Nc2nc(NC(C)c3ncc(F)cn3)nc(N3CCOCC3)n2)s1.
What is the InChIKey of 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?
The InChIKey is AJHRSQYSLUUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN9OS/c1-10-7-21-17(29-10)26-15-23-14(22-11(2)13-19-8-12(18)9-20-13)24-16(25-15)27-3-5-28-6-4-27/h7-9,11H,3-6H2,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 417.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 75048165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).