3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine

C9H15N3O2 — CID 66331747

IUPAC3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine
SMILESCOc1ncnc(OCCCN)c1C
InChIInChI=1S/C9H15N3O2/c1-7-8(13-2)11-6-12-9(7)14-5-3-4-10/h6H,3-5,10H2,1-2H3
InChIKeyNBDIXNCEVLFBMI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.52
Rot. Bonds5

About 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine

3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine (PubChem CID 66331747) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine
PubChem CID66331747
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine
SMILESCOc1ncnc(OCCCN)c1C
InChIInChI=1S/C9H15N3O2/c1-7-8(13-2)11-6-12-9(7)14-5-3-4-10/h6H,3-5,10H2,1-2H3
InChIKeyNBDIXNCEVLFBMI-UHFFFAOYSA-N
XLogP0.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine (CID 66331747) is 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine is COc1ncnc(OCCCN)c1C.
What is the InChIKey of 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is NBDIXNCEVLFBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-8(13-2)11-6-12-9(7)14-5-3-4-10/h6H,3-5,10H2,1-2H3.
What are the key properties of 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine?
3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-5-methylpyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 66331747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).