2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

C12H11Cl2N3S — CID 107091751

IUPAC2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H11Cl2N3S/c1-7-5-10(15)17-12(16-7)18-6-8-3-2-4-9(13)11(8)14/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyRXRRSXUUWHJNIA-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.97
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 107091751) has the molecular formula C12H11Cl2N3S and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID107091751
Molecular FormulaC12H11Cl2N3S
Molecular Weight300.21 g/mol
Exact Mass299.01
IUPAC Name2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(SCc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C12H11Cl2N3S/c1-7-5-10(15)17-12(16-7)18-6-8-3-2-4-9(13)11(8)14/h2-5H,6H2,1H3,(H2,15,16,17)
InChIKeyRXRRSXUUWHJNIA-UHFFFAOYSA-N
XLogP3.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 106864097
2-[(4-bromo-2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 115598150
2-[(2-chloro-4-nitrophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 115331110
2-N-[(2-chlorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 71945279
2-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107349644
6-chloro-2-[[2-(2,6-dichlorophenyl)-3-pyridinyl]methylsulfanyl]pyrimidin-4-amine
CID 150380630
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
CID 24578454
4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
CID 46034013
2-[(2-amino-6-chlorophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 55242063
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47110970
[3-chloro-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 102669136
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78909887

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 107091751) is 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(SCc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is RXRRSXUUWHJNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3S/c1-7-5-10(15)17-12(16-7)18-6-8-3-2-4-9(13)11(8)14/h2-5H,6H2,1H3,(H2,15,16,17).
What are the key properties of 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 300.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 107091751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).