4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol

C15H19ClN6O2 — CID 23648034

IUPAC4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O2/c16-10-3-4-12(24)11(9-10)18-14-19-13(17-5-8-23)20-15(21-14)22-6-1-2-7-22/h3-4,9,23-24H,1-2,5-8H2,(H2,17,18,19,20,21)
InChIKeyYVHUOXWQVUSZKG-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.98
Rot. Bonds6

About 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol

4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23648034) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23648034
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol
SMILESOCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1
InChIInChI=1S/C15H19ClN6O2/c16-10-3-4-12(24)11(9-10)18-14-19-13(17-5-8-23)20-15(21-14)22-6-1-2-7-22/h3-4,9,23-24H,1-2,5-8H2,(H2,17,18,19,20,21)
InChIKeyYVHUOXWQVUSZKG-UHFFFAOYSA-N
XLogP1.98
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-(5-Chloro-2-methoxy-phenylamino)-6-pyrrolidin-1-yl-[1,3,5]triazin-2-ylamino]-ethanol
CID 650378
2-[[4-(5-Chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648036
2-N-butyl-4-N-(5-chloro-2-methoxyphenyl)-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 23648009
2-[[4-(5-Chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648012
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
CID 23648024
2-[[4-(5-Chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648037
2-[(4-{[2-(Tert-butoxy)-5-chlorophenyl]amino}-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)amino]ethan-1-ol
CID 23648038
2-[[4-(5-Chloro-2-methoxyanilino)-6-ethoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 3146885
2-[[4-(5-Chloro-2-propoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 24747181
2-[4-(5-Chloro-2-methoxy-phenylamino)-6-methoxy-[1,3,5]triazin-2-ylamino]-ethanol
CID 3146884
2-({4-[(5-Chloro-2-methoxyphenyl)amino]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 3146886
2-[4-Chloro-6-(5-chloro-2-methoxy-phenylamino)-[1,3,5]triazin-2-ylamino]-ethanol
CID 3152648

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol (CID 23648034) is 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol is OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is YVHUOXWQVUSZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c16-10-3-4-12(24)11(9-10)18-14-19-13(17-5-8-23)20-15(21-14)22-6-1-2-7-22/h3-4,9,23-24H,1-2,5-8H2,(H2,17,18,19,20,21).
What are the key properties of 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol?
4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 350.81 g/mol, XLogP of 1.98, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23648034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).