2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine

C11H9Cl2N3OS — CID 167216736

IUPAC2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
SMILESCS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-18(17)9-5-3-2-4-8(9)15-10-7(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyMJTJHIOTCHKRIX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.26
Rot. Bonds3

About 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine (PubChem CID 167216736) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
PubChem CID167216736
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
SMILESCS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C11H9Cl2N3OS/c1-18(17)9-5-3-2-4-8(9)15-10-7(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16)
InChIKeyMJTJHIOTCHKRIX-UHFFFAOYSA-N
XLogP3.26
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2-[[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinic acid
CID 130296059
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
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine (CID 167216736) is 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine is CS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine?
The InChIKey is MJTJHIOTCHKRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-18(17)9-5-3-2-4-8(9)15-10-7(12)6-14-11(13)16-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine has a molecular weight of 302.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 167216736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).