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

C8H13N3S — CID 58336921

IUPAC4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1ccnc(NC(C)C)n1
InChIInChI=1S/C8H13N3S/c1-6(2)10-8-9-5-4-7(11-8)12-3/h4-6H,1-3H3,(H,9,10,11)
InChIKeyXKJCUGVHERUWJP-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.02
Rot. Bonds3

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

4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (PubChem CID 58336921) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
PubChem CID58336921
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
SMILESCSc1ccnc(NC(C)C)n1
InChIInChI=1S/C8H13N3S/c1-6(2)10-8-9-5-4-7(11-8)12-3/h4-6H,1-3H3,(H,9,10,11)
InChIKeyXKJCUGVHERUWJP-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine (CID 58336921) is 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is CSc1ccnc(NC(C)C)n1.
What is the InChIKey of 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is XKJCUGVHERUWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6(2)10-8-9-5-4-7(11-8)12-3/h4-6H,1-3H3,(H,9,10,11).
What are the key properties of 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine?
4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 183.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 58336921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).