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

C11H18ClN5O2 — CID 106621436

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1nc(Cl)nc(N(CCO)CC2CCCN2)n1
InChIInChI=1S/C11H18ClN5O2/c1-19-11-15-9(12)14-10(16-11)17(5-6-18)7-8-3-2-4-13-8/h8,13,18H,2-7H2,1H3
InChIKeyQXHXQIIXOJBGTD-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.08
Rot. Bonds6

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106621436) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106621436
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCOc1nc(Cl)nc(N(CCO)CC2CCCN2)n1
InChIInChI=1S/C11H18ClN5O2/c1-19-11-15-9(12)14-10(16-11)17(5-6-18)7-8-3-2-4-13-8/h8,13,18H,2-7H2,1H3
InChIKeyQXHXQIIXOJBGTD-UHFFFAOYSA-N
XLogP0.08
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621336
4-chloro-N-(cyclopropylmethyl)-6-methoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620160
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
CID 79720046
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621453
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
2-[(5-methylpyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621130
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106621436) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is COc1nc(Cl)nc(N(CCO)CC2CCCN2)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is QXHXQIIXOJBGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-19-11-15-9(12)14-10(16-11)17(5-6-18)7-8-3-2-4-13-8/h8,13,18H,2-7H2,1H3.
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 287.75 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106621436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).