N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

C24H24N4O2S — CID 155233633

IUPACN-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3c(NC4CC4)nc(-c4ccccc4C)nc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-15-8-12-19(13-9-15)31(29,30)28-17(3)14-21-23(25-18-10-11-18)26-22(27-24(21)28)20-7-5-4-6-16(20)2/h4-9,12-14,18H,10-11H2,1-3H3,(H,25,26,27)
InChIKeyCSDMJOIRMQSCRG-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.83
Rot. Bonds5

About N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine

N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155233633) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155233633
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2c(C)cc3c(NC4CC4)nc(-c4ccccc4C)nc32)cc1
InChIInChI=1S/C24H24N4O2S/c1-15-8-12-19(13-9-15)31(29,30)28-17(3)14-21-23(25-18-10-11-18)26-22(27-24(21)28)20-7-5-4-6-16(20)2/h4-9,12-14,18H,10-11H2,1-3H3,(H,25,26,27)
InChIKeyCSDMJOIRMQSCRG-UHFFFAOYSA-N
XLogP4.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[[6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-2-ol
CID 163204360
7-benzylsulfonyl-N-cyclopropyl-6-methyl-2-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155671488
dimethyl 2-(cyclohexylamino)-5-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3,4-dicarboxylate
CID 10918412
N-[4-[[6-ethyl-3-methyl-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]-4-methylbenzenesulfonamide
CID 42679799
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
7-(benzenesulfonyl)-4-chloro-6-methyl-2-phenylpyrrolo[2,3-d]pyrimidine
CID 59128311
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
N-(azepan-3-yl)-2-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
CID 86706477
N-cyclohexyl-2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-amine
CID 97170106
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine (CID 155233633) is N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)n2c(C)cc3c(NC4CC4)nc(-c4ccccc4C)nc32)cc1.
What is the InChIKey of N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CSDMJOIRMQSCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-15-8-12-19(13-9-15)31(29,30)28-17(3)14-21-23(25-18-10-11-18)26-22(27-24(21)28)20-7-5-4-6-16(20)2/h4-9,12-14,18H,10-11H2,1-3H3,(H,25,26,27).
What are the key properties of N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 432.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-(2-methylphenyl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155233633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).