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

C20H26N8OS — CID 172840385

IUPAC5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCCN(CC)Cc1ccc(-c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C20H26N8OS/c1-3-27(4-2)13-15-5-6-16(30-15)18-24-17(14-11-22-19(21)23-12-14)25-20(26-18)28-7-9-29-10-8-28/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H2,21,22,23)
InChIKeyWSEJOTHLIBUAQF-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.32
Rot. Bonds7

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

5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (PubChem CID 172840385) has the molecular formula C20H26N8OS and a molecular weight of 426.55 g/mol. Its IUPAC name is 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
PubChem CID172840385
Molecular FormulaC20H26N8OS
Molecular Weight426.55 g/mol
Exact Mass426.20
IUPAC Name5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
SMILESCCN(CC)Cc1ccc(-c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1
InChIInChI=1S/C20H26N8OS/c1-3-27(4-2)13-15-5-6-16(30-15)18-24-17(14-11-22-19(21)23-12-14)25-20(26-18)28-7-9-29-10-8-28/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H2,21,22,23)
InChIKeyWSEJOTHLIBUAQF-UHFFFAOYSA-N
XLogP2.32
TPSA106.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 172805929
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 171478111
5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70253902
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
5-[6-(methoxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
CID 71012387
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
5-[7-(2-methylpentan-2-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118444373
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
3-[1-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]imidazol-2-yl]propanenitrile
CID 143838082
4-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzamide
CID 42613285

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine (CID 172840385) is 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is CCN(CC)Cc1ccc(-c2nc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)s1.
What is the InChIKey of 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
The InChIKey is WSEJOTHLIBUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8OS/c1-3-27(4-2)13-15-5-6-16(30-15)18-24-17(14-11-22-19(21)23-12-14)25-20(26-18)28-7-9-29-10-8-28/h5-6,11-12H,3-4,7-10,13H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine?
5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine has a molecular weight of 426.55 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(diethylaminomethyl)thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 172840385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).