6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C7H10ClN3S — CID 1484542

IUPAC6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H10ClN3S/c1-3-9-6-4-5(8)10-7(11-6)12-2/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyDSESJTDYBTVWQY-UHFFFAOYSA-N
MW203.70 g/mol
LogP2.28
Rot. Bonds3

About 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 1484542) has the molecular formula C7H10ClN3S and a molecular weight of 203.70 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID1484542
Molecular FormulaC7H10ClN3S
Molecular Weight203.70 g/mol
Exact Mass203.03
IUPAC Name6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Cl)nc(SC)n1
InChIInChI=1S/C7H10ClN3S/c1-3-9-6-4-5(8)10-7(11-6)12-2/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyDSESJTDYBTVWQY-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.70
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine 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-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 1484542) is 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(Cl)nc(SC)n1.
What is the InChIKey of 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is DSESJTDYBTVWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S/c1-3-9-6-4-5(8)10-7(11-6)12-2/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 203.70 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 1484542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).