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

C15H19ClN6O — CID 2055451

IUPAC2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O/c16-11-3-5-12(6-4-11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-1-2-9-22/h3-6,23H,1-2,7-10H2,(H2,17,18,19,20,21)
InChIKeyXDVVBLXWYYYPSQ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.27
Rot. Bonds6

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

2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 2055451) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID2055451
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O/c16-11-3-5-12(6-4-11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-1-2-9-22/h3-6,23H,1-2,7-10H2,(H2,17,18,19,20,21)
InChIKeyXDVVBLXWYYYPSQ-UHFFFAOYSA-N
XLogP2.27
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
1-[2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-3-(4-chlorophenyl)urea
CID 2239351
2-({4-[(4-Chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-YL}amino)ethan-1-OL
CID 5124090
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
(4-Chloro-phenyl)-(4,6-diethoxy-[1,3,5]triazin-2-yl)-amine
CID 810981
N-(4-Chloro-phenyl)-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 1035343
2-{[4-(Phenylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}ethan-1-ol
CID 4767568

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 2055451) is 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(Nc2ccc(Cl)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is XDVVBLXWYYYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c16-11-3-5-12(6-4-11)18-14-19-13(17-7-10-23)20-15(21-14)22-8-1-2-9-22/h3-6,23H,1-2,7-10H2,(H2,17,18,19,20,21).
What are the key properties of 2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(4-chloroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 334.81 g/mol, XLogP of 2.27, 6 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-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 2055451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).