4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane

C9H15Cl2N3S — CID 144658244

IUPAC4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane
SMILESCC.CCCSc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C7H9Cl2N3S.C2H6/c1-2-3-13-7-11-5(8)4(10)6(9)12-7;1-2/h2-3,10H2,1H3;1-2H3
InChIKeyDFSIPQFULDZFOI-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.89
Rot. Bonds3

About 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane (PubChem CID 144658244) has the molecular formula C9H15Cl2N3S and a molecular weight of 268.21 g/mol. Its IUPAC name is 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane.

Molecular Properties

Compound Name4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane
PubChem CID144658244
Molecular FormulaC9H15Cl2N3S
Molecular Weight268.21 g/mol
Exact Mass267.04
IUPAC Name4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane
SMILESCC.CCCSc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C7H9Cl2N3S.C2H6/c1-2-3-13-7-11-5(8)4(10)6(9)12-7;1-2/h2-3,10H2,1H3;1-2H3
InChIKeyDFSIPQFULDZFOI-UHFFFAOYSA-N
XLogP3.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane?
The IUPAC name of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane (CID 144658244) is 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane.
What is the SMILES notation for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane?
The canonical SMILES for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane is CC.CCCSc1nc(Cl)c(N)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane?
The InChIKey is DFSIPQFULDZFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3S.C2H6/c1-2-3-13-7-11-5(8)4(10)6(9)12-7;1-2/h2-3,10H2,1H3;1-2H3.
What are the key properties of 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane?
4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane has a molecular weight of 268.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-propylsulfanylpyrimidin-5-amine;ethane is sourced from PubChem (CID 144658244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).