5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

C22H23FN8O2S — CID 169155899

IUPAC5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1
InChIInChI=1S/C22H23FN8O2S/c1-12-8-18(30-29-12)26-21-19(13-4-5-13)20(14-10-24-31(2)11-14)27-22(28-21)25-17-7-6-15(9-16(17)23)34(3,32)33/h6-11,13H,4-5H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyRLESVIOCYPDWKF-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.82
Rot. Bonds7

About 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 169155899) has the molecular formula C22H23FN8O2S and a molecular weight of 482.55 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID169155899
Molecular FormulaC22H23FN8O2S
Molecular Weight482.55 g/mol
Exact Mass482.16
IUPAC Name5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1
InChIInChI=1S/C22H23FN8O2S/c1-12-8-18(30-29-12)26-21-19(13-4-5-13)20(14-10-24-31(2)11-14)27-22(28-21)25-17-7-6-15(9-16(17)23)34(3,32)33/h6-11,13H,4-5H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKeyRLESVIOCYPDWKF-UHFFFAOYSA-N
XLogP3.82
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-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 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 169155899) is 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccc(S(C)(=O)=O)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is RLESVIOCYPDWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O2S/c1-12-8-18(30-29-12)26-21-19(13-4-5-13)20(14-10-24-31(2)11-14)27-22(28-21)25-17-7-6-15(9-16(17)23)34(3,32)33/h6-11,13H,4-5H2,1-3H3,(H3,25,26,27,28,29,30).
What are the key properties of 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 482.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-N-(2-fluoro-4-methylsulfonylphenyl)-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 169155899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).