N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine

C24H20ClF2N5O2S — CID 158738561

IUPACN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCc1c(-c2ccnc(Nc3ccnc(C)n3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H20ClF2N5O2S/c1-3-17-18(15-6-8-29-23(10-15)32-22-7-9-28-14(2)31-22)12-30-24(25)19(17)13-35(33,34)21-5-4-16(26)11-20(21)27/h4-12H,3,13H2,1-2H3,(H,28,29,31,32)
InChIKeyKQLFLZASYNVMHR-UHFFFAOYSA-N
MW515.97 g/mol
LogP5.45
Rot. Bonds7

About N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine (PubChem CID 158738561) has the molecular formula C24H20ClF2N5O2S and a molecular weight of 515.97 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
PubChem CID158738561
Molecular FormulaC24H20ClF2N5O2S
Molecular Weight515.97 g/mol
Exact Mass515.10
IUPAC NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
SMILESCCc1c(-c2ccnc(Nc3ccnc(C)n3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H20ClF2N5O2S/c1-3-17-18(15-6-8-29-23(10-15)32-22-7-9-28-14(2)31-22)12-30-24(25)19(17)13-35(33,34)21-5-4-16(26)11-20(21)27/h4-12H,3,13H2,1-2H3,(H,28,29,31,32)
InChIKeyKQLFLZASYNVMHR-UHFFFAOYSA-N
XLogP5.45
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.97
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide
CID 59548448
5'-chloro-N2'-(1-(ethylsulfonyl)piperidin-4-yl)-N6-(3-fluoro benzyl)-2,4'-bipyridine-2',6-diamine
CID 66936847
N-benzyl-6-[(phenylsulfonyl)methyl]-2-(2-pyridinyl)-4-pyrimidinamine
CID 1471776
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(4-pyridinyl)pyrimidine
CID 1475402
N-Benzyl-6-((phenylsulfonyl)methyl)-2-(4-pyridinyl)-4-pyrimidinamine
CID 2769215
2-(4-methylsulfonylphenyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 44456715
5-(4-chlorophenyl)-2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 168295668
5-chloro-6-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
CID 44591369
7-(3-ethylsulfonylpyridin-2-yl)-2-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972647
(3R)-3-[5-[(7-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 73670825
5-(2-Fluoro-4-{2-[(1-methylethyl)sulfonyl]pyridin-3-yl}phenyl)pyrimidin-2-amine
CID 90312419

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine (CID 158738561) is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine is CCc1c(-c2ccnc(Nc3ccnc(C)n3)c2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
The InChIKey is KQLFLZASYNVMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2S/c1-3-17-18(15-6-8-29-23(10-15)32-22-7-9-28-14(2)31-22)12-30-24(25)19(17)13-35(33,34)21-5-4-16(26)11-20(21)27/h4-12H,3,13H2,1-2H3,(H,28,29,31,32).
What are the key properties of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine?
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine has a molecular weight of 515.97 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-ethyl-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 158738561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).