6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

C9H15ClN4S — CID 115899327

IUPAC6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4S/c1-3-6(5-15-2)12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyMLGYHIADBJTZBU-UHFFFAOYSA-N
MW246.77 g/mol
LogP2.27
Rot. Bonds5

About 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 115899327) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID115899327
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(CSC)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4S/c1-3-6(5-15-2)12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyMLGYHIADBJTZBU-UHFFFAOYSA-N
XLogP2.27
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
methyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]hexanoate
CID 133444300
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 113495337
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
CID 80818389
6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
CID 113494426
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine (CID 115899327) is 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is CCC(CSC)Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is MLGYHIADBJTZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-3-6(5-15-2)12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 246.77 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115899327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).