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

C6H9ClN4S — CID 70615458

IUPAC5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(N)c(Cl)c(SC)n1
InChIInChI=1S/C6H9ClN4S/c1-9-6-10-4(8)3(7)5(11-6)12-2/h1-2H3,(H3,8,9,10,11)
InChIKeyIAZCTPXBLIPXEB-UHFFFAOYSA-N
MW204.69 g/mol
LogP1.48
Rot. Bonds2

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

5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 70615458) has the molecular formula C6H9ClN4S and a molecular weight of 204.69 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
PubChem CID70615458
Molecular FormulaC6H9ClN4S
Molecular Weight204.69 g/mol
Exact Mass204.02
IUPAC Name5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(N)c(Cl)c(SC)n1
InChIInChI=1S/C6H9ClN4S/c1-9-6-10-4(8)3(7)5(11-6)12-2/h1-2H3,(H3,8,9,10,11)
InChIKeyIAZCTPXBLIPXEB-UHFFFAOYSA-N
XLogP1.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.69
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ukj 72J
CID 124699
5-Chloro-4-fluoro-2,6-bis(methylsulfanyl)pyrimidine
CID 123146729
4-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235896
5-Chloro-4,6-bis(methylsulfanyl)pyrimidine
CID 238757
6-chloro-2-N-methyl-5-methylsulfinylpyrimidine-2,4-diamine
CID 12790365
4-azido-6-chloro-N-methyl-5-methylsulfanylpyrimidin-2-amine
CID 12926769
6-chloro-4-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
CID 20274843
6-chloro-4-N-ethyl-5-methylsulfanylpyrimidine-2,4-diamine
CID 20274844
6-chloro-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
CID 20274846
2-chloro-4-N-methyl-5-methylsulfanylpyrimidine-4,6-diamine
CID 20274848
2-chloro-4-N-ethyl-5-methylsulfanylpyrimidine-4,6-diamine
CID 20274849
2,6-dichloro-N-methyl-5-methylsulfanylpyrimidin-4-amine
CID 20274856

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine (CID 70615458) is 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine is CNc1nc(N)c(Cl)c(SC)n1.
What is the InChIKey of 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is IAZCTPXBLIPXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4S/c1-9-6-10-4(8)3(7)5(11-6)12-2/h1-2H3,(H3,8,9,10,11).
What are the key properties of 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine?
5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 204.69 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-6-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 70615458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).