5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine

C24H29N5OS — CID 118671571

IUPAC5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine
SMILESCCc1cc(-c2ncnc(CC)c2C#Cc2cnc(C)c(NS(C)(C)(C)=O)c2)ccn1
InChIInChI=1S/C24H29N5OS/c1-7-20-14-19(11-12-25-20)24-21(22(8-2)27-16-28-24)10-9-18-13-23(17(3)26-15-18)29-31(4,5,6)30/h11-16H,7-8H2,1-6H3,(H,29,30)
InChIKeyMGIFWUCRUPMPOZ-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.80
Rot. Bonds5

About 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine

5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine (PubChem CID 118671571) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine
PubChem CID118671571
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine
SMILESCCc1cc(-c2ncnc(CC)c2C#Cc2cnc(C)c(NS(C)(C)(C)=O)c2)ccn1
InChIInChI=1S/C24H29N5OS/c1-7-20-14-19(11-12-25-20)24-21(22(8-2)27-16-28-24)10-9-18-13-23(17(3)26-15-18)29-31(4,5,6)30/h11-16H,7-8H2,1-6H3,(H,29,30)
InChIKeyMGIFWUCRUPMPOZ-UHFFFAOYSA-N
XLogP3.80
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[5-[2-[4-ethyl-6-(2-methyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-4-methylbenzenesulfonamide
CID 71232961
N-[5-[2-[4-[6-(aminomethyl)-3-pyridinyl]-6-ethylpyrimidin-5-yl]ethynyl]-2-methyl-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71225522
2-methyl-N-(methyl-methylidene-oxo-λ6-sulfanyl)-5-[2-[4-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-3-amine
CID 159807471
N-[5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-2-methyl-3-pyridinyl]methanesulfonamide
CID 88919509
N-[[4-[[5-[2-[4-ethyl-6-(2-methyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-3-pyridinyl]-methylsulfamoyl]phenyl]methyl]acetamide
CID 71225425
5-[2-(4-chloro-6-ethylpyrimidin-5-yl)ethynyl]-N-(4-fluorophenyl)sulfanyl-2-methylpyridin-3-amine
CID 130329601
4-ethyl-5-[2-[6-methyl-5-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]ethynyl]-6-phenylpyrimidin-2-amine
CID 161281784
5-[2-[4-ethyl-6-(6-methyl-3-pyridinyl)pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073023
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluoro-N-hydroxy-N-methylbenzamide
CID 58073024
[4-[6-ethyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-4-yl]-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 53354252
[2-chloro-4-[6-ethyl-5-[2-(6-ethyl-3-pyridinyl)ethynyl]pyrimidin-4-yl]phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58072718
4-[2-ethyl-3-[2-(6-ethyl-3-pyridinyl)ethynyl]-4-pyridinyl]-2-fluorobenzoic acid
CID 58235325

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine?
The IUPAC name of 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine (CID 118671571) is 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine.
What is the SMILES notation for 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine?
The canonical SMILES for 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine is CCc1cc(-c2ncnc(CC)c2C#Cc2cnc(C)c(NS(C)(C)(C)=O)c2)ccn1.
What is the InChIKey of 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine?
The InChIKey is MGIFWUCRUPMPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-7-20-14-19(11-12-25-20)24-21(22(8-2)27-16-28-24)10-9-18-13-23(17(3)26-15-18)29-31(4,5,6)30/h11-16H,7-8H2,1-6H3,(H,29,30).
What are the key properties of 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine?
5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine has a molecular weight of 435.60 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-ethyl-6-(2-ethyl-4-pyridinyl)pyrimidin-5-yl]ethynyl]-2-methyl-N-[trimethyl(oxo)-λ6-sulfanyl]pyridin-3-amine is sourced from PubChem (CID 118671571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).