2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine

C20H23N5OS2 — CID 124865996

IUPAC2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(N2CCC[C@H]2c2cccs2)nc(N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C20H23N5OS2/c1-26-20-22-18(24-10-2-6-14(24)16-8-4-12-27-16)21-19(23-20)25-11-3-7-15(25)17-9-5-13-28-17/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyKBRXTAJMGGQRHL-GJZGRUSLSA-N
MW413.57 g/mol
LogP4.69
Rot. Bonds5

About 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine

2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine (PubChem CID 124865996) has the molecular formula C20H23N5OS2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
PubChem CID124865996
Molecular FormulaC20H23N5OS2
Molecular Weight413.57 g/mol
Exact Mass413.13
IUPAC Name2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine
SMILESCOc1nc(N2CCC[C@H]2c2cccs2)nc(N2CCC[C@H]2c2cccs2)n1
InChIInChI=1S/C20H23N5OS2/c1-26-20-22-18(24-10-2-6-14(24)16-8-4-12-27-16)21-19(23-20)25-11-3-7-15(25)17-9-5-13-28-17/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyKBRXTAJMGGQRHL-GJZGRUSLSA-N
XLogP4.69
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 97012968
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]-2-thiophen-2-ylmorpholine
CID 133363651
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
(2R)-1-(3-methoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 94383964
(2S)-N-(4-methoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 8658799
2-(2-thiophen-2-ylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133488469
1-methyl-4-nitro-5-(2-thiophen-2-ylpyrrolidin-1-yl)imidazole
CID 47121042
3-tert-butyl-6-(2-thiophen-2-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488467
2-(2-thiophen-2-ylpyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 55635999
3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97217841
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine (CID 124865996) is 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine is COc1nc(N2CCC[C@H]2c2cccs2)nc(N2CCC[C@H]2c2cccs2)n1.
What is the InChIKey of 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine?
The InChIKey is KBRXTAJMGGQRHL-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H23N5OS2/c1-26-20-22-18(24-10-2-6-14(24)16-8-4-12-27-16)21-19(23-20)25-11-3-7-15(25)17-9-5-13-28-17/h4-5,8-9,12-15H,2-3,6-7,10-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine?
2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine has a molecular weight of 413.57 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-bis[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 124865996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).