6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine

C12H19N3OS — CID 80889509

IUPAC6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1SC1CCOCC1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-11(13)14-7-15-12(10)17-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeySPJVILHKJUHJDM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.45
Rot. Bonds3

About 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine

6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80889509) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80889509
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(N)ncnc1SC1CCOCC1
InChIInChI=1S/C12H19N3OS/c1-8(2)10-11(13)14-7-15-12(10)17-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeySPJVILHKJUHJDM-UHFFFAOYSA-N
XLogP2.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine (CID 80889509) is 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(N)ncnc1SC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is SPJVILHKJUHJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(2)10-11(13)14-7-15-12(10)17-9-3-5-16-6-4-9/h7-9H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine?
6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylsulfanyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80889509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).