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

C15H20N6O — CID 4767568

IUPAC2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6O/c22-11-8-16-13-18-14(17-12-6-2-1-3-7-12)20-15(19-13)21-9-4-5-10-21/h1-3,6-7,22H,4-5,8-11H2,(H2,16,17,18,19,20)
InChIKeyNYKSPDHLZGHYMP-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.62
Rot. Bonds6

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

2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol (PubChem CID 4767568) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
PubChem CID4767568
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol
SMILESOCCNc1nc(Nc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H20N6O/c22-11-8-16-13-18-14(17-12-6-2-1-3-7-12)20-15(19-13)21-9-4-5-10-21/h1-3,6-7,22H,4-5,8-11H2,(H2,16,17,18,19,20)
InChIKeyNYKSPDHLZGHYMP-UHFFFAOYSA-N
XLogP1.62
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
N-Allyl-6-chloro-N'-phenyl-[1,3,5]triazine-2,4-diamine
CID 3107858
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
2-[[4-(4-Chloroanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 2055451
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
1-(2-((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 658880
1-(2-((4,6-Bis(diethylamino)-1,3,5-triazin-2-yl)oxy)ethyl)-3-phenylurea
CID 4364919
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
N,N,N',N'-Tetramethyl-N''-phenyl-[1,3,5]triazine-2,4,6-triamine
CID 1090715

Frequently Asked Questions

What is the IUPAC name of 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The IUPAC name of 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol (CID 4767568) is 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol.
What is the SMILES notation for 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The canonical SMILES for 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol is OCCNc1nc(Nc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
The InChIKey is NYKSPDHLZGHYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c22-11-8-16-13-18-14(17-12-6-2-1-3-7-12)20-15(19-13)21-9-4-5-10-21/h1-3,6-7,22H,4-5,8-11H2,(H2,16,17,18,19,20).
What are the key properties of 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol?
2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol has a molecular weight of 300.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]ethanol is sourced from PubChem (CID 4767568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).