2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

C18H33N7O2 — CID 124848002

IUPAC2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCC(N3CCO[C@@H](C)C3)CC2)n1
InChIInChI=1S/C18H33N7O2/c1-13(2)20-17-21-16(19-6-10-26)22-18(23-17)24-7-4-15(5-8-24)25-9-11-27-14(3)12-25/h13-15,26H,4-12H2,1-3H3,(H2,19,20,21,22,23)/t14-/m0/s1
InChIKeyMAAYPBGXSYBXMG-AWEZNQCLSA-N
MW379.51 g/mol
LogP0.79
Rot. Bonds7

About 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 124848002) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID124848002
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCC(N3CCO[C@@H](C)C3)CC2)n1
InChIInChI=1S/C18H33N7O2/c1-13(2)20-17-21-16(19-6-10-26)22-18(23-17)24-7-4-15(5-8-24)25-9-11-27-14(3)12-25/h13-15,26H,4-12H2,1-3H3,(H2,19,20,21,22,23)/t14-/m0/s1
InChIKeyMAAYPBGXSYBXMG-AWEZNQCLSA-N
XLogP0.79
TPSA98.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-chloro-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]ethanol
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CID 131183036
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23872852
2-[[4-morpholin-4-yl-6-(4-propan-2-ylanilino)-1,3,5-triazin-2-yl]amino]ethanol
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6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 6488389
4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 142023617
N-propan-2-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 623866
2-N-pentan-2-yl-4-N-propyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80751148
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[2-(4-morpholin-4-ylpiperidin-1-yl)-7H-purin-6-yl]amino]ethanol
CID 117094178
N-methyl-4-(2-methylmorpholin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 124848002) is 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is CC(C)Nc1nc(NCCO)nc(N2CCC(N3CCO[C@@H](C)C3)CC2)n1.
What is the InChIKey of 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is MAAYPBGXSYBXMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-13(2)20-17-21-16(19-6-10-26)22-18(23-17)24-7-4-15(5-8-24)25-9-11-27-14(3)12-25/h13-15,26H,4-12H2,1-3H3,(H2,19,20,21,22,23)/t14-/m0/s1.
What are the key properties of 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 379.51 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 124848002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).