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

C26H25FN6O3S — CID 59274788

IUPAC4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESO=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C26H25FN6O3S/c27-19-4-6-20(7-5-19)30-24-12-16-29-26(32-24)31-21-8-10-23(11-9-21)37(34,35)33-17-13-22(14-18-33)36-25-3-1-2-15-28-25/h1-12,15-16,22H,13-14,17-18H2,(H2,29,30,31,32)
InChIKeyHSDGPQHGEIXFTA-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.73
Rot. Bonds8

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

4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (PubChem CID 59274788) 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-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
PubChem CID59274788
Molecular FormulaC26H25FN6O3S
Molecular Weight520.59 g/mol
Exact Mass520.17
IUPAC Name4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine
SMILESO=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccccn2)CC1
InChIInChI=1S/C26H25FN6O3S/c27-19-4-6-20(7-5-19)30-24-12-16-29-26(32-24)31-21-8-10-23(11-9-21)37(34,35)33-17-13-22(14-18-33)36-25-3-1-2-15-28-25/h1-12,15-16,22H,13-14,17-18H2,(H2,29,30,31,32)
InChIKeyHSDGPQHGEIXFTA-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-2-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

Related Compounds

4-N-(4-fluorophenyl)-2-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 141211169
4-N-(4-fluorophenyl)-2-N-[4-[4-(quinolin-5-ylmethylamino)piperidin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274865
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122247334
2-N-[4-[4-[(2,5-dimethylpyrazol-3-yl)methylamino]piperidin-1-yl]sulfonylphenyl]-4-N-(4-fluorophenyl)pyrimidine-2,4-diamine
CID 59274781
4-[(3R)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 124958092
4-N-(4-fluoro-3-methylphenyl)-2-N-[4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]pyrimidine-2,4-diamine
CID 59274695
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
N-(1-benzylpiperidin-4-yl)-4-[[4-(4-fluoroanilino)pyrimidin-2-yl]amino]-N-methylbenzenesulfonamide
CID 69118113
N-[4-[4-[(R)-amino-(4-fluorophenyl)methyl]piperidin-1-yl]sulfonylphenyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 59242865
tert-butyl N-[1-[4-[[4-(4-fluoro-3-methylanilino)pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-yl]-N-methylcarbamate
CID 68586421
2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 172893544
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine (CID 59274788) is 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is O=S(=O)(c1ccc(Nc2nccc(Nc3ccc(F)cc3)n2)cc1)N1CCC(Oc2ccccn2)CC1.
What is the InChIKey of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
The InChIKey is HSDGPQHGEIXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3S/c27-19-4-6-20(7-5-19)30-24-12-16-29-26(32-24)31-21-8-10-23(11-9-21)37(34,35)33-17-13-22(14-18-33)36-25-3-1-2-15-28-25/h1-12,15-16,22H,13-14,17-18H2,(H2,29,30,31,32).
What are the key properties of 4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine?
4-N-(4-fluorophenyl)-2-N-[4-(4-pyridin-2-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-2-yloxypiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59274788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).