2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol

C13H23N5O2 — CID 114802852

IUPAC2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nc(OC(C)C)nc(N2CCC(CCO)C2)n1
InChIInChI=1S/C13H23N5O2/c1-9(2)20-13-16-11(14-3)15-12(17-13)18-6-4-10(8-18)5-7-19/h9-10,19H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNTBIBJAWWRQIHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.91
Rot. Bonds6

About 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol

2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114802852) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
PubChem CID114802852
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nc(OC(C)C)nc(N2CCC(CCO)C2)n1
InChIInChI=1S/C13H23N5O2/c1-9(2)20-13-16-11(14-3)15-12(17-13)18-6-4-10(8-18)5-7-19/h9-10,19H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNTBIBJAWWRQIHY-UHFFFAOYSA-N
XLogP0.91
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol with MolForge

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Related Compounds

2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802906
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]methanol
CID 112629745
1-[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-3-ol
CID 80771712
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 107460274
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
2-[1-(3-propan-2-yloxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799454

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (CID 114802852) is 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is CNc1nc(OC(C)C)nc(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is NTBIBJAWWRQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)20-13-16-11(14-3)15-12(17-13)18-6-4-10(8-18)5-7-19/h9-10,19H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 281.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).