[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

C13H15N3O2 — CID 62697998

IUPAC[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(OCc2ncccn2)c(CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-11-3-4-12(10(7-11)8-14)18-9-13-15-5-2-6-16-13/h2-7H,8-9,14H2,1H3
InChIKeyRVRWCJUHGLBCLQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.52
Rot. Bonds5

About [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine

[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (PubChem CID 62697998) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
PubChem CID62697998
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
SMILESCOc1ccc(OCc2ncccn2)c(CN)c1
InChIInChI=1S/C13H15N3O2/c1-17-11-3-4-12(10(7-11)8-14)18-9-13-15-5-2-6-16-13/h2-7H,8-9,14H2,1H3
InChIKeyRVRWCJUHGLBCLQ-UHFFFAOYSA-N
XLogP1.52
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine (CID 62697998) is [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is COc1ccc(OCc2ncccn2)c(CN)c1.
What is the InChIKey of [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is RVRWCJUHGLBCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-17-11-3-4-12(10(7-11)8-14)18-9-13-15-5-2-6-16-13/h2-7H,8-9,14H2,1H3.
What are the key properties of [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine?
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 245.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 62697998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).