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

C7H11ClN4S — CID 70573863

IUPAC5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc(SC)c1Cl
InChIInChI=1S/C7H11ClN4S/c1-3-10-5-4(8)6(13-2)12-7(9)11-5/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyRRLWLIGDLCRLLK-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.87
Rot. Bonds3

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

5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 70573863) has the molecular formula C7H11ClN4S and a molecular weight of 218.71 g/mol. Its IUPAC name is 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
PubChem CID70573863
Molecular FormulaC7H11ClN4S
Molecular Weight218.71 g/mol
Exact Mass218.04
IUPAC Name5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc(SC)c1Cl
InChIInChI=1S/C7H11ClN4S/c1-3-10-5-4(8)6(13-2)12-7(9)11-5/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyRRLWLIGDLCRLLK-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine (CID 70573863) is 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine is CCNc1nc(N)nc(SC)c1Cl.
What is the InChIKey of 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is RRLWLIGDLCRLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4S/c1-3-10-5-4(8)6(13-2)12-7(9)11-5/h3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine?
5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 218.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 70573863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).