2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine

C14H14Cl2N4O2S — CID 86633907

IUPAC2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C14H14Cl2N4O2S/c15-10-9-17-14(16)19-13(10)18-11-5-1-2-6-12(11)23(21,22)20-7-3-4-8-20/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19)
InChIKeySZTOZZFAXADSOW-UHFFFAOYSA-N
MW373.27 g/mol
LogP3.31
Rot. Bonds4

About 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 86633907) has the molecular formula C14H14Cl2N4O2S and a molecular weight of 373.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID86633907
Molecular FormulaC14H14Cl2N4O2S
Molecular Weight373.27 g/mol
Exact Mass372.02
IUPAC Name2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
SMILESO=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)N1CCCC1
InChIInChI=1S/C14H14Cl2N4O2S/c15-10-9-17-14(16)19-13(10)18-11-5-1-2-6-12(11)23(21,22)20-7-3-4-8-20/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19)
InChIKeySZTOZZFAXADSOW-UHFFFAOYSA-N
XLogP3.31
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine 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

2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
5-chloro-N-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrimidin-4-amine
CID 141202772
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
4-chloro-N-(2-morpholin-4-ylsulfonylphenyl)-1,3,5-triazin-2-amine
CID 59284569
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one
CID 155457156
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
N-[5-chloro-4-(2-cyclopentylsulfonylanilino)pyrimidin-2-yl]hydroxylamine
CID 143003266
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-nitrobenzenesulfonamide;2,4,5-trichloropyrimidine
CID 159124840
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine (CID 86633907) is 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine is O=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)N1CCCC1.
What is the InChIKey of 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is SZTOZZFAXADSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2S/c15-10-9-17-14(16)19-13(10)18-11-5-1-2-6-12(11)23(21,22)20-7-3-4-8-20/h1-2,5-6,9H,3-4,7-8H2,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 373.27 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 86633907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).