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

C7H11ClN4OS — CID 12790361

IUPAC6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCCNc1nc(N)c(S(C)=O)c(Cl)n1
InChIInChI=1S/C7H11ClN4OS/c1-3-10-7-11-5(8)4(14(2)13)6(9)12-7/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyPVHCKFADZDLRBK-UHFFFAOYSA-N
MW234.71 g/mol
LogP0.88
Rot. Bonds3

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

6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine (PubChem CID 12790361) has the molecular formula C7H11ClN4OS and a molecular weight of 234.71 g/mol. Its IUPAC name is 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine
PubChem CID12790361
Molecular FormulaC7H11ClN4OS
Molecular Weight234.71 g/mol
Exact Mass234.03
IUPAC Name6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCCNc1nc(N)c(S(C)=O)c(Cl)n1
InChIInChI=1S/C7H11ClN4OS/c1-3-10-7-11-5(8)4(14(2)13)6(9)12-7/h3H2,1-2H3,(H3,9,10,11,12)
InChIKeyPVHCKFADZDLRBK-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine (CID 12790361) is 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine is CCNc1nc(N)c(S(C)=O)c(Cl)n1.
What is the InChIKey of 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine?
The InChIKey is PVHCKFADZDLRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4OS/c1-3-10-7-11-5(8)4(14(2)13)6(9)12-7/h3H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine?
6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine has a molecular weight of 234.71 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-ethyl-5-methylsulfinylpyrimidine-2,4-diamine is sourced from PubChem (CID 12790361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).