3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol

C18H24N6O2 — CID 123635804

IUPAC3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESCN1CCN(c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H24N6O2/c1-22-5-7-23(8-6-22)17-19-16(14-3-2-4-15(25)13-14)20-18(21-17)24-9-11-26-12-10-24/h2-4,13,25H,5-12H2,1H3
InChIKeyVZWDQQXAJSOWAK-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.83
Rot. Bonds3

About 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol

3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 123635804) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
PubChem CID123635804
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESCN1CCN(c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C18H24N6O2/c1-22-5-7-23(8-6-22)17-19-16(14-3-2-4-15(25)13-14)20-18(21-17)24-9-11-26-12-10-24/h2-4,13,25H,5-12H2,1H3
InChIKeyVZWDQQXAJSOWAK-UHFFFAOYSA-N
XLogP0.83
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol with MolForge

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Related Compounds

1-[4-[4-(3-hydroxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]but-2-en-1-one
CID 66988400
3-[4-[(1S)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]phenol
CID 24962094
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
3-[4-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol
CID 58508309
3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 172805929
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
3-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenol
CID 89120666
3-[11-[(4-methylpiperazin-1-yl)methyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]phenol
CID 46205879
4-(3-hydroxyphenyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbaldehyde
CID 24888238
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
3-[4-(4-fluoropiperidin-1-yl)-6-[(3R)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]phenol
CID 69228460

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol (CID 123635804) is 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol is CN1CCN(c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The InChIKey is VZWDQQXAJSOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-5-7-23(8-6-22)17-19-16(14-3-2-4-15(25)13-14)20-18(21-17)24-9-11-26-12-10-24/h2-4,13,25H,5-12H2,1H3.
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 356.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 123635804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).