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

C16H22N6O — CID 3146158

IUPAC2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1cccc(Nc2nc(NCCO)nc(N3CCCC3)n2)c1
InChIInChI=1S/C16H22N6O/c1-12-5-4-6-13(11-12)18-15-19-14(17-7-10-23)20-16(21-15)22-8-2-3-9-22/h4-6,11,23H,2-3,7-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyDSLSXSSYABXXSB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.93
Rot. Bonds6

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

2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3146158) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3146158
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCc1cccc(Nc2nc(NCCO)nc(N3CCCC3)n2)c1
InChIInChI=1S/C16H22N6O/c1-12-5-4-6-13(11-12)18-15-19-14(17-7-10-23)20-16(21-15)22-8-2-3-9-22/h4-6,11,23H,2-3,7-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyDSLSXSSYABXXSB-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-(3-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-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
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
2-({4-[(2-Methylphenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648017
(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1119752
4,6-bis(1-pyrrolidinyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 1289321
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 3146158) is 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is Cc1cccc(Nc2nc(NCCO)nc(N3CCCC3)n2)c1.
What is the InChIKey of 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is DSLSXSSYABXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-5-4-6-13(11-12)18-15-19-14(17-7-10-23)20-16(21-15)22-8-2-3-9-22/h4-6,11,23H,2-3,7-10H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(3-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-(3-methylanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3146158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).