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

C25H27FN8O2S — CID 169155871

IUPAC5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N(C)c3ccc(S(=O)(=O)C4CC4)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1
InChIInChI=1S/C25H27FN8O2S/c1-14-10-21(32-31-14)28-24-22(15-4-5-15)23(16-12-27-33(2)13-16)29-25(30-24)34(3)20-9-8-18(11-19(20)26)37(35,36)17-6-7-17/h8-13,15,17H,4-7H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyAYRPVKCRFMNGSL-UHFFFAOYSA-N
MW522.61 g/mol
LogP4.37
Rot. Bonds8

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

5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 169155871) has the molecular formula C25H27FN8O2S and a molecular weight of 522.61 g/mol. Its IUPAC name is 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID169155871
Molecular FormulaC25H27FN8O2S
Molecular Weight522.61 g/mol
Exact Mass522.20
IUPAC Name5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2nc(N(C)c3ccc(S(=O)(=O)C4CC4)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1
InChIInChI=1S/C25H27FN8O2S/c1-14-10-21(32-31-14)28-24-22(15-4-5-15)23(16-12-27-33(2)13-16)29-25(30-24)34(3)20-9-8-18(11-19(20)26)37(35,36)17-6-7-17/h8-13,15,17H,4-7H2,1-3H3,(H2,28,29,30,31,32)
InChIKeyAYRPVKCRFMNGSL-UHFFFAOYSA-N
XLogP4.37
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.61
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-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-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-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-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 169155871) is 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-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-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-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-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2nc(N(C)c3ccc(S(=O)(=O)C4CC4)cc3F)nc(-c3cnn(C)c3)c2C2CC2)n[nH]1.
What is the InChIKey of 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is AYRPVKCRFMNGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2S/c1-14-10-21(32-31-14)28-24-22(15-4-5-15)23(16-12-27-33(2)13-16)29-25(30-24)34(3)20-9-8-18(11-19(20)26)37(35,36)17-6-7-17/h8-13,15,17H,4-7H2,1-3H3,(H2,28,29,30,31,32).
What are the key properties of 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 522.61 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-N-(4-cyclopropylsulfonyl-2-fluorophenyl)-2-N-methyl-6-(1-methylpyrazol-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 169155871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).