4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane

C13H16ClN3S — CID 143206145

IUPAC4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
SMILESCC.CSc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3S.C2H6/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3
InChIKeyTUWVOFXWCAPMOY-UHFFFAOYSA-N
MW281.81 g/mol
LogP4.13
Rot. Bonds2

About 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane

4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane (PubChem CID 143206145) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane.

Molecular Properties

Compound Name4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
PubChem CID143206145
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
SMILESCC.CSc1ccc(-c2cc(Cl)nc(N)n2)cc1
InChIInChI=1S/C11H10ClN3S.C2H6/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3
InChIKeyTUWVOFXWCAPMOY-UHFFFAOYSA-N
XLogP4.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
CID 24743463
4-chloro-6-(3,4-dimethoxyphenyl)pyrimidin-2-amine
CID 24743459
4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
CID 155169736
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
4-chloro-6-[2-methyl-5-(4-methylphenyl)phenyl]pyrimidin-2-amine
CID 59104281
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
4-chloro-6-(4-chloro-2-fluorophenyl)pyrimidin-2-amine
CID 175606408
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
6-chloro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 78910138
4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
2-(4-chlorophenyl)-6-(2-fluorophenyl)-4-methylsulfanylpyridine
CID 14551214
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane?
The IUPAC name of 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane (CID 143206145) is 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane.
What is the SMILES notation for 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane?
The canonical SMILES for 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane is CC.CSc1ccc(-c2cc(Cl)nc(N)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane?
The InChIKey is TUWVOFXWCAPMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S.C2H6/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9;1-2/h2-6H,1H3,(H2,13,14,15);1-2H3.
What are the key properties of 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane?
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane has a molecular weight of 281.81 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane is sourced from PubChem (CID 143206145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).