3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine

C9H13Cl2N3OS — CID 102759905

IUPAC3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
SMILESCC(CS(C)=O)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3OS/c1-5(4-16(2)15)13-9-7(11)3-6(10)8(12)14-9/h3,5H,4H2,1-2H3,(H3,12,13,14)
InChIKeyVYCOVRFHZWYLHY-UHFFFAOYSA-N
MW282.20 g/mol
LogP2.15
Rot. Bonds4

About 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine

3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine (PubChem CID 102759905) has the molecular formula C9H13Cl2N3OS and a molecular weight of 282.20 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
PubChem CID102759905
Molecular FormulaC9H13Cl2N3OS
Molecular Weight282.20 g/mol
Exact Mass281.02
IUPAC Name3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine
SMILESCC(CS(C)=O)Nc1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3OS/c1-5(4-16(2)15)13-9-7(11)3-6(10)8(12)14-9/h3,5H,4H2,1-2H3,(H3,12,13,14)
InChIKeyVYCOVRFHZWYLHY-UHFFFAOYSA-N
XLogP2.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
CID 106890795
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
3,5-dichloro-6-N-(3-methylbutan-2-yl)pyridine-2,6-diamine
CID 102754467
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
3,5-dichloro-6-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2,6-diamine
CID 102757090
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-6-N-(4-methylpentyl)pyridine-2,6-diamine
CID 102758112
3,5-dichloro-6-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,6-diamine
CID 102756938
3,5-dichloro-6-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 102757058
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 102759699

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine (CID 102759905) is 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine is CC(CS(C)=O)Nc1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine?
The InChIKey is VYCOVRFHZWYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3OS/c1-5(4-16(2)15)13-9-7(11)3-6(10)8(12)14-9/h3,5H,4H2,1-2H3,(H3,12,13,14).
What are the key properties of 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine?
3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine has a molecular weight of 282.20 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(1-methylsulfinylpropan-2-yl)pyridine-2,6-diamine is sourced from PubChem (CID 102759905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).