2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol

C13H16ClN5O2 — CID 5124090

IUPAC2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5O2/c1-2-21-13-18-11(15-7-8-20)17-12(19-13)16-10-5-3-9(14)4-6-10/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySMMCQSAJDJGYAV-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.07
Rot. Bonds7

About 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 5124090) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID5124090
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
SMILESCCOc1nc(NCCO)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H16ClN5O2/c1-2-21-13-18-11(15-7-8-20)17-12(19-13)16-10-5-3-9(14)4-6-10/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19)
InChIKeySMMCQSAJDJGYAV-UHFFFAOYSA-N
XLogP2.07
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

N-(4-chlorophenyl)-6-morpholin-4-yl-N'-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 3243109
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451
2-({4-[(4-Chlorophenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141864
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
2-[[4-(2-Fluoroanilino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 3146877
6-Chloro-N-(4-chloro-phenyl)-N'-propyl-[1,3,5]triazine-2,4-diamine
CID 3107863
N-allyl-N'-(4-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 5124088
2-({4-[(3-Chlorophenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648020
({4-[(4-Chlorophenyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 662168
ethyl N-{4-chloro-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl}glycinate
CID 790416

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol (CID 5124090) is 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol is CCOc1nc(NCCO)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is SMMCQSAJDJGYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-2-21-13-18-11(15-7-8-20)17-12(19-13)16-10-5-3-9(14)4-6-10/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 309.76 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloroanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 5124090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).