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

C22H27N5O2S — CID 172805929

IUPAC3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESCCN(CC)Cc1ccc(-c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C22H27N5O2S/c1-3-26(4-2)15-18-8-9-19(30-18)21-23-20(16-6-5-7-17(28)14-16)24-22(25-21)27-10-12-29-13-11-27/h5-9,14,28H,3-4,10-13,15H2,1-2H3
InChIKeyRMXIROLLBDSTKH-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.65
Rot. Bonds7

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

3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol (PubChem CID 172805929) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
PubChem CID172805929
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
SMILESCCN(CC)Cc1ccc(-c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C22H27N5O2S/c1-3-26(4-2)15-18-8-9-19(30-18)21-23-20(16-6-5-7-17(28)14-16)24-22(25-21)27-10-12-29-13-11-27/h5-9,14,28H,3-4,10-13,15H2,1-2H3
InChIKeyRMXIROLLBDSTKH-UHFFFAOYSA-N
XLogP3.65
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 172840385
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804
3-[4-[4-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 172798694
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-morpholin-4-yl-6-(pyridin-4-ylmethoxy)-1,3,5-triazin-2-yl]phenol
CID 58508309
3-[9-[2-(diethylamino)ethyl]-2-morpholin-4-ylpurin-6-yl]phenol
CID 25256551
3-(5,6-dimethyl-2-morpholin-4-ylpyrimidin-4-yl)phenol
CID 123967937
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
3-[7-[(dimethylamino)methyl]-4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl]phenol
CID 42632987
3-[11-[(dimethylamino)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 58507923
3-[9-(2-hydroxyethyl)-2-morpholin-4-ylpurin-6-yl]phenol
CID 44608912
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol (CID 172805929) is 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol is CCN(CC)Cc1ccc(-c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)s1.
What is the InChIKey of 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
The InChIKey is RMXIROLLBDSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-26(4-2)15-18-8-9-19(30-18)21-23-20(16-6-5-7-17(28)14-16)24-22(25-21)27-10-12-29-13-11-27/h5-9,14,28H,3-4,10-13,15H2,1-2H3.
What are the key properties of 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol?
3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol has a molecular weight of 425.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 172805929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).