4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine

C26H25FN6O3S — CID 59274916

IUPAC4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESO=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C26H25FN6O3S/c27-19-1-3-20(4-2-19)30-25-11-16-29-26(32-25)31-21-5-7-24(8-6-21)37(34,35)33-17-12-23(13-18-33)36-22-9-14-28-15-10-22/h1-11,14-16,23H,12-13,17-18H2,(H2,29,30,31,32)
InChIKeyCOYRXUAUHOVEET-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.73
Rot. Bonds8

About 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine

4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (PubChem CID 59274916) has the molecular formula C26H25FN6O3S and a molecular weight of 520.59 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
PubChem CID59274916
Molecular FormulaC26H25FN6O3S
Molecular Weight520.59 g/mol
Exact Mass520.17
IUPAC Name4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESO=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccncc2)CC1
InChIInChI=1S/C26H25FN6O3S/c27-19-1-3-20(4-2-19)30-25-11-16-29-26(32-25)31-21-5-7-24(8-6-21)37(34,35)33-17-12-23(13-18-33)36-22-9-14-28-15-10-22/h1-11,14-16,23H,12-13,17-18H2,(H2,29,30,31,32)
InChIKeyCOYRXUAUHOVEET-UHFFFAOYSA-N
XLogP4.73
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]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-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (CID 59274916) is 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccncc2)CC1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The InChIKey is COYRXUAUHOVEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3S/c27-19-1-3-20(4-2-19)30-25-11-16-29-26(32-25)31-21-5-7-24(8-6-21)37(34,35)33-17-12-23(13-18-33)36-22-9-14-28-15-10-22/h1-11,14-16,23H,12-13,17-18H2,(H2,29,30,31,32).
What are the key properties of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine has a molecular weight of 520.59 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-4-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59274916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).