4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine

C7H9Cl2N3S — CID 15567772

IUPAC4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine
SMILESCCNc1nc(Cl)c(SC)c(Cl)n1
InChIInChI=1S/C7H9Cl2N3S/c1-3-10-7-11-5(8)4(13-2)6(9)12-7/h3H2,1-2H3,(H,10,11,12)
InChIKeyQBXCNNSODJPQAW-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.94
Rot. Bonds3

About 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine

4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine (PubChem CID 15567772) has the molecular formula C7H9Cl2N3S and a molecular weight of 238.14 g/mol. Its IUPAC name is 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine
PubChem CID15567772
Molecular FormulaC7H9Cl2N3S
Molecular Weight238.14 g/mol
Exact Mass236.99
IUPAC Name4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine
SMILESCCNc1nc(Cl)c(SC)c(Cl)n1
InChIInChI=1S/C7H9Cl2N3S/c1-3-10-7-11-5(8)4(13-2)6(9)12-7/h3H2,1-2H3,(H,10,11,12)
InChIKeyQBXCNNSODJPQAW-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine (CID 15567772) is 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine is CCNc1nc(Cl)c(SC)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine?
The InChIKey is QBXCNNSODJPQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S/c1-3-10-7-11-5(8)4(13-2)6(9)12-7/h3H2,1-2H3,(H,10,11,12).
What are the key properties of 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine?
4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine has a molecular weight of 238.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-ethyl-5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 15567772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).