N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

C17H13ClFN3O2S — CID 59588218

IUPACN-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(Cl)c3F)n2)cc1
InChIInChI=1S/C17H13ClFN3O2S/c1-25(23,24)12-7-5-11(6-8-12)14-9-10-20-17(21-14)22-15-4-2-3-13(18)16(15)19/h2-10H,1H3,(H,20,21,22)
InChIKeyMNSCYYZFIISMFC-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.08
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine

N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 59588218) has the molecular formula C17H13ClFN3O2S and a molecular weight of 377.83 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID59588218
Molecular FormulaC17H13ClFN3O2S
Molecular Weight377.83 g/mol
Exact Mass377.04
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(Cl)c3F)n2)cc1
InChIInChI=1S/C17H13ClFN3O2S/c1-25(23,24)12-7-5-11(6-8-12)14-9-10-20-17(21-14)22-15-4-2-3-13(18)16(15)19/h2-10H,1H3,(H,20,21,22)
InChIKeyMNSCYYZFIISMFC-UHFFFAOYSA-N
XLogP4.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidine
CID 68627815
4-(4-methylsulfonylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588069
4-(4-methylsulfonylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
CID 59588103
N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347046
N-[3-(dimethylamino)propyl]-4-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 68674614
4-(4-methylsulfonylphenyl)pyrimidine-2-carbonitrile
CID 116900877
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156
2-N-(4-phenylpyrimidin-2-yl)benzene-1,2-diamine
CID 69180348
4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 11667571
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
4-[[4-[4-(benzenesulfonyl)phenyl]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
CID 58716809

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 59588218) is N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is CS(=O)(=O)c1ccc(-c2ccnc(Nc3cccc(Cl)c3F)n2)cc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is MNSCYYZFIISMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2S/c1-25(23,24)12-7-5-11(6-8-12)14-9-10-20-17(21-14)22-15-4-2-3-13(18)16(15)19/h2-10H,1H3,(H,20,21,22).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine?
N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 377.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59588218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).