2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

C8H11Cl2N3S — CID 88768485

IUPAC2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)nc(NC(C)C)c1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-6-5(9)7(14-3)13-8(10)12-6/h4H,1-3H3,(H,11,12,13)
InChIKeyIHSCCKLHCKLMDF-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.33
Rot. Bonds3

About 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 88768485) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID88768485
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)nc(NC(C)C)c1Cl
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-6-5(9)7(14-3)13-8(10)12-6/h4H,1-3H3,(H,11,12,13)
InChIKeyIHSCCKLHCKLMDF-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (CID 88768485) is 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is CSc1nc(Cl)nc(NC(C)C)c1Cl.
What is the InChIKey of 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is IHSCCKLHCKLMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-4(2)11-6-5(9)7(14-3)13-8(10)12-6/h4H,1-3H3,(H,11,12,13).
What are the key properties of 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 252.17 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 88768485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).