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

C6H9ClN4S — CID 88770287

IUPAC4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine
SMILESCNc1c(Cl)nc(N)nc1SC
InChIInChI=1S/C6H9ClN4S/c1-9-3-4(7)10-6(8)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11)
InChIKeyRKMMCLRZMLVRLQ-UHFFFAOYSA-N
MW204.69 g/mol
LogP1.48
Rot. Bonds2

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

4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine (PubChem CID 88770287) has the molecular formula C6H9ClN4S and a molecular weight of 204.69 g/mol. Its IUPAC name is 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine
PubChem CID88770287
Molecular FormulaC6H9ClN4S
Molecular Weight204.69 g/mol
Exact Mass204.02
IUPAC Name4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine
SMILESCNc1c(Cl)nc(N)nc1SC
InChIInChI=1S/C6H9ClN4S/c1-9-3-4(7)10-6(8)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11)
InChIKeyRKMMCLRZMLVRLQ-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

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CID 11436336
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
Pyrimidine, 5-amino-2-methyl-4-methylamino-6-methylthio-
CID 86178802
4-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
[(5-Amino-6-chloropyrimidin-4-yl)sulfanyl]acetonitrile
CID 12379031
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028
4,6-Bis(methylthio)-5-aminopyrimidine
CID 238733
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-6-methylsulfanylpyrimidin-5-amine
CID 20545071
2-(Butylthio)-4,6-dichloropyrimidin-5-amine
CID 22268935
2,4,6-Tris(methylsulfanyl)pyrimidin-5-amine
CID 22592215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine (CID 88770287) is 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine is CNc1c(Cl)nc(N)nc1SC.
What is the InChIKey of 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine?
The InChIKey is RKMMCLRZMLVRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4S/c1-9-3-4(7)10-6(8)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11).
What are the key properties of 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine?
4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-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 4-chloro-5-N-methyl-6-methylsulfanylpyrimidine-2,5-diamine is sourced from PubChem (CID 88770287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).