6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

C8H12ClN3S — CID 26370202

IUPAC6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)C)n1
InChIInChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12)
InChIKeyUFIHRHMWSNBGPR-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 26370202) has the molecular formula C8H12ClN3S and a molecular weight of 217.72 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID26370202
Molecular FormulaC8H12ClN3S
Molecular Weight217.72 g/mol
Exact Mass217.04
IUPAC Name6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NC(C)C)n1
InChIInChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12)
InChIKeyUFIHRHMWSNBGPR-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (CID 26370202) is 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is CSc1nc(Cl)cc(NC(C)C)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is UFIHRHMWSNBGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 217.72 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 26370202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).