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

C23H18ClF2N5O2S — CID 147313086

IUPACN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1
InChIInChI=1S/C23H18ClF2N5O2S/c1-13-5-7-28-23(30-13)31-21-9-15(6-8-27-21)17-11-29-22(24)18(14(17)2)12-34(32,33)20-4-3-16(25)10-19(20)26/h3-11H,12H2,1-2H3,(H,27,28,30,31)
InChIKeyCYIQBIVASBLTFK-UHFFFAOYSA-N
MW501.95 g/mol
LogP5.20
Rot. Bonds6

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

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (PubChem CID 147313086) has the molecular formula C23H18ClF2N5O2S and a molecular weight of 501.95 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
PubChem CID147313086
Molecular FormulaC23H18ClF2N5O2S
Molecular Weight501.95 g/mol
Exact Mass501.08
IUPAC NameN-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
SMILESCc1ccnc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1
InChIInChI=1S/C23H18ClF2N5O2S/c1-13-5-7-28-23(30-13)31-21-9-15(6-8-27-21)17-11-29-22(24)18(14(17)2)12-34(32,33)20-4-3-16(25)10-19(20)26/h3-11H,12H2,1-2H3,(H,27,28,30,31)
InChIKeyCYIQBIVASBLTFK-UHFFFAOYSA-N
XLogP5.20
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.95
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Rebalance
CID 451490
1-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methylsulfonyl-2-N-pyrimidin-2-ylbenzene-1,2-diamine
CID 145704694
5-chloro-4-N-(2-propan-2-ylsulfonylphenyl)-2-N-[4-(thiomorpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 168270325
4-Chloro-6-[(phenylsulfonyl)methyl]-2-(3-pyridinyl)pyrimidine
CID 1471755
2-isopropyl-7-(3-(methylsulfonyl)pyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52942485
N-(5-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-ylamino)-2-chloropyridin-3-YL)-4-fluorobenzenesulfonamide
CID 59548448
N-[(1R)-2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-1-phenylethyl]-2-piperazin-1-ylethanesulfonamide
CID 68347135
5-[6-[1-(3-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428444
5-[6-[2-(Benzenesulfonyl)propan-2-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428457
5-[6-[1-(Benzenesulfonyl)cyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428564
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531397
5-[6-[1-(4-Fluorophenyl)sulfonylcyclopropyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 132037143

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (CID 147313086) is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is Cc1ccnc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)ccn2)n1.
What is the InChIKey of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
The InChIKey is CYIQBIVASBLTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2S/c1-13-5-7-28-23(30-13)31-21-9-15(6-8-27-21)17-11-29-22(24)18(14(17)2)12-34(32,33)20-4-3-16(25)10-19(20)26/h3-11H,12H2,1-2H3,(H,27,28,30,31).
What are the key properties of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?
N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine has a molecular weight of 501.95 g/mol, XLogP of 5.20, 6 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-methyl-3-pyridinyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 147313086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).