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

C14H25N5O2 — CID 114802906

IUPAC2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1nc(OCC)nc(N2CCC(CCO)C2)n1
InChIInChI=1S/C14H25N5O2/c1-3-7-15-12-16-13(18-14(17-12)21-4-2)19-8-5-11(10-19)6-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyVLFZAHQIDDATBA-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.30
Rot. Bonds8

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

2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114802906) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
PubChem CID114802906
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCCCNc1nc(OCC)nc(N2CCC(CCO)C2)n1
InChIInChI=1S/C14H25N5O2/c1-3-7-15-12-16-13(18-14(17-12)21-4-2)19-8-5-11(10-19)6-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyVLFZAHQIDDATBA-UHFFFAOYSA-N
XLogP1.30
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]ethanol
CID 107229222
4-ethoxy-6-(4-ethylpiperidin-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80780550
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-ethoxy-6-(2-ethylmorpholin-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80773813
4-ethoxy-6-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80844616
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802852
4-ethoxy-N-methyl-6-(4-propylpiperidin-1-yl)-1,3,5-triazin-2-amine
CID 80821666
[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 80774756
4-ethoxy-N-ethyl-6-[4-(methoxymethyl)piperidin-1-yl]-1,3,5-triazin-2-amine
CID 80820012
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
[4-ethoxy-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80899195
4-ethoxy-6-(1-methylpiperidin-4-yl)oxy-N-propyl-1,3,5-triazin-2-amine
CID 80879716

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol (CID 114802906) is 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is CCCNc1nc(OCC)nc(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is VLFZAHQIDDATBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-7-15-12-16-13(18-14(17-12)21-4-2)19-8-5-11(10-19)6-9-20/h11,20H,3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol?
2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 295.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).