2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine

C12H12ClN3O2S — CID 157222009

IUPAC2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
SMILESCS(=O)(=O)Cc1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C12H12ClN3O2S/c1-19(17,18)8-9-4-2-3-5-10(9)15-11-6-7-14-12(13)16-11/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKADSYVQDLVZIQP-UHFFFAOYSA-N
MW297.77 g/mol
LogP2.42
Rot. Bonds4

About 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine

2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine (PubChem CID 157222009) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
PubChem CID157222009
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
SMILESCS(=O)(=O)Cc1ccccc1Nc1ccnc(Cl)n1
InChIInChI=1S/C12H12ClN3O2S/c1-19(17,18)8-9-4-2-3-5-10(9)15-11-6-7-14-12(13)16-11/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyKADSYVQDLVZIQP-UHFFFAOYSA-N
XLogP2.42
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 159278230
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329
1-N-(2-chloropyrimidin-4-yl)-2-N,2-N-dimethylbenzene-1,2-diamine
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2-chloro-N-[2-(1-methylpyrazol-3-yl)phenyl]pyrimidin-4-amine
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2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
6-chloro-N-(2-ethylphenyl)pyridin-2-amine
CID 63588591
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
ethyl 2-[(2-chloropyrimidin-4-yl)sulfamoyl]acetate
CID 116798767
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80807590
1-[4-[(2-chloropyrimidin-4-yl)amino]phenyl]propan-2-one
CID 159435212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine (CID 157222009) is 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine is CS(=O)(=O)Cc1ccccc1Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
The InChIKey is KADSYVQDLVZIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-19(17,18)8-9-4-2-3-5-10(9)15-11-6-7-14-12(13)16-11/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine?
2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine has a molecular weight of 297.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 157222009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).