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

C16H21ClN6O2 — CID 650378

IUPAC2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyAQYDNGDNBIIYOX-UHFFFAOYSA-N
MW364.84 g/mol
LogP2.28
Rot. Bonds7

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

2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 650378) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID650378
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22)
InChIKeyAQYDNGDNBIIYOX-UHFFFAOYSA-N
XLogP2.28
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 650378) is 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is AQYDNGDNBIIYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-25-13-5-4-11(17)10-12(13)19-15-20-14(18-6-9-24)21-16(22-15)23-7-2-3-8-23/h4-5,10,24H,2-3,6-9H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 364.84 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-2-methoxyanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 650378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).