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

C16H22N6O — CID 23648017

IUPAC2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N6O/c1-12-6-2-3-7-13(12)18-15-19-14(17-8-11-23)20-16(21-15)22-9-4-5-10-22/h2-3,6-7,23H,4-5,8-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyKKJWZAHKIMVCSB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.93
Rot. Bonds6

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

2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23648017) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23648017
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N6O/c1-12-6-2-3-7-13(12)18-15-19-14(17-8-11-23)20-16(21-15)22-9-4-5-10-22/h2-3,6-7,23H,4-5,8-11H2,1H3,(H2,17,18,19,20,21)
InChIKeyKKJWZAHKIMVCSB-UHFFFAOYSA-N
XLogP1.93
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
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
N2,N2-dimethyl-N4-(2-propylphenyl)-1,3,5-triazine-2,4,6-triamine hydrochloride
CID 71584599
2-[4-Chloro-6-(4-isopropyl-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3129759
6-Ethoxy-N-(2-morpholin-4-yl-ethyl)-N'-p-tolyl-[1,3,5]triazine-2,4-diamine
CID 1109291
4,6-dimorpholino-N-(o-tolyl)-1,3,5-triazin-2-amine hydrochloride
CID 18580239
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
CID 24747175
(4-Dimethylamino-6-m-tolylamino-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 1895646
(4-Methoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 653671
N-(4-methylphenyl)-4,6-di(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 1353607
2-({4-[(3-Methylphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3141863

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 23648017) is 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is Cc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is KKJWZAHKIMVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-6-2-3-7-13(12)18-15-19-14(17-8-11-23)20-16(21-15)22-9-4-5-10-22/h2-3,6-7,23H,4-5,8-11H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 314.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23648017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).