2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol

C14H18ClN5O — CID 3129759

IUPAC2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C14H18ClN5O/c1-9(2)10-3-5-11(6-4-10)17-14-19-12(15)18-13(20-14)16-7-8-21/h3-6,9,21H,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyHHFOJJPMYGVDGR-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.80
Rot. Bonds6

About 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3129759) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3129759
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1
InChIInChI=1S/C14H18ClN5O/c1-9(2)10-3-5-11(6-4-10)17-14-19-12(15)18-13(20-14)16-7-8-21/h3-6,9,21H,7-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyHHFOJJPMYGVDGR-UHFFFAOYSA-N
XLogP2.80
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

Stk064997
CID 778562
4,6-Dichloro-N-(4-(1-methylethyl)phenyl)-1,3,5-triazin-2-amine
CID 3121122
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
Ethyl 2-{[4-chloro-6-(4-toluidino)-1,3,5-triazin-2-yl]amino}acetate
CID 4237348
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
6-chloro-N-cyclohexyl-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 704774
2-({4-[(2-Methylphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648017
(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-(4-isopropyl-phenyl)-amine
CID 692799
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 24747175
6-Chloro-N-isopropyl-N'-m-tolyl-[1,3,5]triazine-2,4-diamine
CID 768158
N-butyl-6-chloro-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 3107866

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3129759) is 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol is CC(C)c1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1.
What is the InChIKey of 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is HHFOJJPMYGVDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9(2)10-3-5-11(6-4-10)17-14-19-12(15)18-13(20-14)16-7-8-21/h3-6,9,21H,7-8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 307.79 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3129759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).