[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine

C10H15N3OS — CID 107751932

IUPAC[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
SMILESCC1OCCC1Sc1nccc(CN)n1
InChIInChI=1S/C10H15N3OS/c1-7-9(3-5-14-7)15-10-12-4-2-8(6-11)13-10/h2,4,7,9H,3,5-6,11H2,1H3
InChIKeyAGZSYXBISMWGKH-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.20
Rot. Bonds3

About [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine

[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine (PubChem CID 107751932) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
PubChem CID107751932
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine
SMILESCC1OCCC1Sc1nccc(CN)n1
InChIInChI=1S/C10H15N3OS/c1-7-9(3-5-14-7)15-10-12-4-2-8(6-11)13-10/h2,4,7,9H,3,5-6,11H2,1H3
InChIKeyAGZSYXBISMWGKH-UHFFFAOYSA-N
XLogP1.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine (CID 107751932) is [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine is CC1OCCC1Sc1nccc(CN)n1.
What is the InChIKey of [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine?
The InChIKey is AGZSYXBISMWGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-9(3-5-14-7)15-10-12-4-2-8(6-11)13-10/h2,4,7,9H,3,5-6,11H2,1H3.
What are the key properties of [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine?
[2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine has a molecular weight of 225.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107751932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).