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

C12H11Cl2N3OS — CID 167216908

IUPAC2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
SMILESCCS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-2-19(18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyTVUOIJIPYDHTBU-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.65
Rot. Bonds4

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

2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine (PubChem CID 167216908) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
PubChem CID167216908
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
SMILESCCS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3OS/c1-2-19(18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyTVUOIJIPYDHTBU-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
3-[[5-chloro-4-(2-ethylsulfinylanilino)pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167216916
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-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
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-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]amino]benzenesulfinic acid
CID 130296059
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine (CID 167216908) is 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine is CCS(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine?
The InChIKey is TVUOIJIPYDHTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-2-19(18)10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine has a molecular weight of 316.21 g/mol, XLogP of 3.65, 4 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-ethylsulfinylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 167216908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).