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

C6H9ClN4S — CID 88802139

IUPAC2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine
SMILESCNc1c(N)nc(Cl)nc1SC
InChIInChI=1S/C6H9ClN4S/c1-9-3-4(8)10-6(7)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11)
InChIKeyQCYGKDRBHKQDDJ-UHFFFAOYSA-N
MW204.69 g/mol
LogP1.48
Rot. Bonds2

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

2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine (PubChem CID 88802139) has the molecular formula C6H9ClN4S and a molecular weight of 204.69 g/mol. Its IUPAC name is 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine
PubChem CID88802139
Molecular FormulaC6H9ClN4S
Molecular Weight204.69 g/mol
Exact Mass204.02
IUPAC Name2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine
SMILESCNc1c(N)nc(Cl)nc1SC
InChIInChI=1S/C6H9ClN4S/c1-9-3-4(8)10-6(7)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11)
InChIKeyQCYGKDRBHKQDDJ-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

4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
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
Pyrimidine, 5-formamido-2-methyl-4-methylamino-6-methylthio-
CID 171384369
4-Methylthio-5-amino-6-chloropyrimidine
CID 12350057
2,6-Bis(propylthio)pyrimidine-4,5-diamine
CID 18924917
6-Chloro-2-propylsulfanylpyrimidine-4,5-diamine
CID 89094226
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
9-Methyl-2,6-bis(methylthio)-7,9-dihydro-8h-purine-8-thione
CID 135397795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine (CID 88802139) is 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine is CNc1c(N)nc(Cl)nc1SC.
What is the InChIKey of 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine?
The InChIKey is QCYGKDRBHKQDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4S/c1-9-3-4(8)10-6(7)11-5(3)12-2/h9H,1-2H3,(H2,8,10,11).
What are the key properties of 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine?
2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-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 2-chloro-5-N-methyl-6-methylsulfanylpyrimidine-4,5-diamine is sourced from PubChem (CID 88802139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).