6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine

C6H9ClN4OS — CID 12790365

IUPAC6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCNc1nc(N)c(S(C)=O)c(Cl)n1
InChIInChI=1S/C6H9ClN4OS/c1-9-6-10-4(7)3(13(2)12)5(8)11-6/h1-2H3,(H3,8,9,10,11)
InChIKeyLHZCZGHZPJHZBN-UHFFFAOYSA-N
MW220.68 g/mol
LogP0.49
Rot. Bonds2

About 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine

6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine (PubChem CID 12790365) has the molecular formula C6H9ClN4OS and a molecular weight of 220.68 g/mol. Its IUPAC name is 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine
PubChem CID12790365
Molecular FormulaC6H9ClN4OS
Molecular Weight220.68 g/mol
Exact Mass220.02
IUPAC Name6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCNc1nc(N)c(S(C)=O)c(Cl)n1
InChIInChI=1S/C6H9ClN4OS/c1-9-6-10-4(7)3(13(2)12)5(8)11-6/h1-2H3,(H3,8,9,10,11)
InChIKeyLHZCZGHZPJHZBN-UHFFFAOYSA-N
XLogP0.49
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine
CID 68678
N~4~-butyl-6-chloro-N~2~-methyl-5-(methylsulfanyl)-2,4-pyrimidinediamine
CID 2765582
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-4-amine
CID 13636863
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-(diethylamino)ethyl)-N(sup 2),N(sup 2)-diethyl-5-(methylthio)-, dihydrobromide
CID 3043351
2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(dimethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-
CID 3043359
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfinylpyrimidin-2-amine
CID 15567750
Ukj 72J
CID 124699
Tioclorim
CID 50262
2-Chloro-5-(methylthio)-4,6-pyrimidinediamine
CID 51216
4,6-dichloro-N-methyl-5-(methylsulfanyl)-2-pyrimidinamine
CID 1488580
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-diethyl-5-methylsulfanylpyrimidine-2,4-diamine
CID 3043352

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine (CID 12790365) is 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine is CNc1nc(N)c(S(C)=O)c(Cl)n1.
What is the InChIKey of 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine?
The InChIKey is LHZCZGHZPJHZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4OS/c1-9-6-10-4(7)3(13(2)12)5(8)11-6/h1-2H3,(H3,8,9,10,11).
What are the key properties of 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine?
6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine has a molecular weight of 220.68 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine is sourced from PubChem (CID 12790365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).