(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride

C18H20ClFN6O — CID 134152755

IUPAC(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
SMILESC[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
InChIInChI=1S/C18H19FN6O.ClH/c1-12(11-26)20-16-23-17(21-14-5-3-2-4-6-14)25-18(24-16)22-15-9-7-13(19)8-10-15;/h2-10,12,26H,11H2,1H3,(H3,20,21,22,23,24,25);1H/t12-;/m0./s1
InChIKeyZNBCOMKIZUBAID-YDALLXLXSA-N
MW390.85 g/mol
LogP3.71
Rot. Bonds7

About (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride

(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride (PubChem CID 134152755) has the molecular formula C18H20ClFN6O and a molecular weight of 390.85 g/mol. Its IUPAC name is (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
PubChem CID134152755
Molecular FormulaC18H20ClFN6O
Molecular Weight390.85 g/mol
Exact Mass390.14
IUPAC Name(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride
SMILESC[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl
InChIInChI=1S/C18H19FN6O.ClH/c1-12(11-26)20-16-23-17(21-14-5-3-2-4-6-14)25-18(24-16)22-15-9-7-13(19)8-10-15;/h2-10,12,26H,11H2,1H3,(H3,20,21,22,23,24,25);1H/t12-;/m0./s1
InChIKeyZNBCOMKIZUBAID-YDALLXLXSA-N
XLogP3.71
TPSA94.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride with MolForge

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Related Compounds

2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
2-N-[5-(diethylamino)pentan-2-yl]-4-N-(4-fluorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 134149762
6-chloro-2-N-(4-fluorophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 23033168
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
5-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 134135652
4-N-(4-bromophenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 134138490
(2S,3Z)-3-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5457216
2-N-(4-fluorophenyl)-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720007
2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 10708431
(2R)-2-[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 129363218
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride (CID 134152755) is (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride is C[C@@H](CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1.Cl.
What is the InChIKey of (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride?
The InChIKey is ZNBCOMKIZUBAID-YDALLXLXSA-N. The full InChI is InChI=1S/C18H19FN6O.ClH/c1-12(11-26)20-16-23-17(21-14-5-3-2-4-6-14)25-18(24-16)22-15-9-7-13(19)8-10-15;/h2-10,12,26H,11H2,1H3,(H3,20,21,22,23,24,25);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride?
(2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride has a molecular weight of 390.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-anilino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 134152755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).