1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine

C8H13N3OS — CID 81188500

IUPAC1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)Cc1ncccn1
InChIInChI=1S/C8H13N3OS/c1-7(9)5-13(12)6-8-10-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyLTKWPOANJZWBFG-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.07
Rot. Bonds4

About 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine

1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine (PubChem CID 81188500) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine
PubChem CID81188500
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine
SMILESCC(N)CS(=O)Cc1ncccn1
InChIInChI=1S/C8H13N3OS/c1-7(9)5-13(12)6-8-10-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyLTKWPOANJZWBFG-UHFFFAOYSA-N
XLogP0.07
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine?
The IUPAC name of 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine (CID 81188500) is 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine.
What is the SMILES notation for 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine?
The canonical SMILES for 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine is CC(N)CS(=O)Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine?
The InChIKey is LTKWPOANJZWBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-7(9)5-13(12)6-8-10-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine?
1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine has a molecular weight of 199.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethylsulfinyl)propan-2-amine is sourced from PubChem (CID 81188500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).