4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine

C6H7Cl2N3S — CID 1488580

IUPAC4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(SC)c(Cl)n1
InChIInChI=1S/C6H7Cl2N3S/c1-9-6-10-4(7)3(12-2)5(8)11-6/h1-2H3,(H,9,10,11)
InChIKeySRBYFAHJCYQXNV-UHFFFAOYSA-N
MW224.12 g/mol
LogP2.55
Rot. Bonds2

About 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine

4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine (PubChem CID 1488580) has the molecular formula C6H7Cl2N3S and a molecular weight of 224.12 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
PubChem CID1488580
Molecular FormulaC6H7Cl2N3S
Molecular Weight224.12 g/mol
Exact Mass222.97
IUPAC Name4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
SMILESCNc1nc(Cl)c(SC)c(Cl)n1
InChIInChI=1S/C6H7Cl2N3S/c1-9-6-10-4(7)3(12-2)5(8)11-6/h1-2H3,(H,9,10,11)
InChIKeySRBYFAHJCYQXNV-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N~4~-butyl-6-chloro-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
CID 2765582
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043348
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043359
Ukj 72J
CID 124699
2,4,6-Trichloro-5-methylsulfanyl-pyrimidine
CID 12225544
Tioclorim
CID 50262
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine
CID 3043352
4,6-Dichloro-5-(trifluoromethylsulfanyl)pyrimidin-2-amine
CID 21794027
2,6-dichloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 134097447
6-Chloro-5-methylsulfinylpyrimidine-2,4-diamine
CID 12790359
6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine
CID 12790361

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine (CID 1488580) is 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine is CNc1nc(Cl)c(SC)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is SRBYFAHJCYQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3S/c1-9-6-10-4(7)3(12-2)5(8)11-6/h1-2H3,(H,9,10,11).
What are the key properties of 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine?
4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 224.12 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 1488580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).