2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine

C13H16ClN5O2S — CID 129046624

IUPAC2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Nc1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H16ClN5O2S/c1-9-8-15-13(14)17-12(9)16-10-5-4-6-11(7-10)18-22(20,21)19(2)3/h4-8,18H,1-3H3,(H,15,16,17)
InChIKeyBLZMZWCFDBGPTG-UHFFFAOYSA-N
MW341.82 g/mol
LogP2.40
Rot. Bonds5

About 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine

2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine (PubChem CID 129046624) has the molecular formula C13H16ClN5O2S and a molecular weight of 341.82 g/mol. Its IUPAC name is 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
PubChem CID129046624
Molecular FormulaC13H16ClN5O2S
Molecular Weight341.82 g/mol
Exact Mass341.07
IUPAC Name2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1Nc1cccc(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H16ClN5O2S/c1-9-8-15-13(14)17-12(9)16-10-5-4-6-11(7-10)18-22(20,21)19(2)3/h4-8,18H,1-3H3,(H,15,16,17)
InChIKeyBLZMZWCFDBGPTG-UHFFFAOYSA-N
XLogP2.40
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
CID 89102641
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
1-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]phenyl]-3-propan-2-ylurea
CID 129046687
2-chloro-N-[3-(cyclopropylsulfonylmethyl)phenyl]-5-methylpyrimidin-4-amine
CID 157289200
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79076256
N,N-dimethyl-3-[[5-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]benzenesulfonamide
CID 121475823
4-methyl-N-[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 2774842
2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 159278230

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine (CID 129046624) is 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine is Cc1cnc(Cl)nc1Nc1cccc(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine?
The InChIKey is BLZMZWCFDBGPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2S/c1-9-8-15-13(14)17-12(9)16-10-5-4-6-11(7-10)18-22(20,21)19(2)3/h4-8,18H,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine?
2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine has a molecular weight of 341.82 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine is sourced from PubChem (CID 129046624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).