2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine

C13H21N3O2 — CID 103987965

IUPAC2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(CC2CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-17-7-5-14-9-12-2-4-15-13(16-12)8-11-3-6-18-10-11/h2,4,11,14H,3,5-10H2,1H3
InChIKeyIKCZJPNWKQHIFZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.79
Rot. Bonds7

About 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 103987965) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID103987965
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCOCCNCc1ccnc(CC2CCOC2)n1
InChIInChI=1S/C13H21N3O2/c1-17-7-5-14-9-12-2-4-15-13(16-12)8-11-3-6-18-10-11/h2,4,11,14H,3,5-10H2,1H3
InChIKeyIKCZJPNWKQHIFZ-UHFFFAOYSA-N
XLogP0.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.79
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 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine (CID 103987965) is 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine is COCCNCc1ccnc(CC2CCOC2)n1.
What is the InChIKey of 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is IKCZJPNWKQHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-17-7-5-14-9-12-2-4-15-13(16-12)8-11-3-6-18-10-11/h2,4,11,14H,3,5-10H2,1H3.
What are the key properties of 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 103987965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).