4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

C23H23N5O2S — CID 90189463

IUPAC4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCC4)nc(N)n3)c3ccccc32)cc1
InChIInChI=1S/C23H23N5O2S/c1-15-9-11-17(12-10-15)31(29,30)28-14-19(18-7-2-3-8-21(18)28)20-13-22(27-23(24)26-20)25-16-5-4-6-16/h2-3,7-14,16H,4-6H2,1H3,(H3,24,25,26,27)
InChIKeyPWAIOEWZCRCOHZ-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.19
Rot. Bonds5

About 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine

4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (PubChem CID 90189463) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
PubChem CID90189463
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCC4)nc(N)n3)c3ccccc32)cc1
InChIInChI=1S/C23H23N5O2S/c1-15-9-11-17(12-10-15)31(29,30)28-14-19(18-7-2-3-8-21(18)28)20-13-22(27-23(24)26-20)25-16-5-4-6-16/h2-3,7-14,16H,4-6H2,1H3,(H3,24,25,26,27)
InChIKeyPWAIOEWZCRCOHZ-UHFFFAOYSA-N
XLogP4.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine (CID 90189463) is 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is Cc1ccc(S(=O)(=O)n2cc(-c3cc(NC4CCC4)nc(N)n3)c3ccccc32)cc1.
What is the InChIKey of 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PWAIOEWZCRCOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-15-9-11-17(12-10-15)31(29,30)28-14-19(18-7-2-3-8-21(18)28)20-13-22(27-23(24)26-20)25-16-5-4-6-16/h2-3,7-14,16H,4-6H2,1H3,(H3,24,25,26,27).
What are the key properties of 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine?
4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 433.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 90189463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).