3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol

C17H15N3O2 — CID 171390941

IUPAC3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol
SMILESCOc1cc(C)nc(/N=C/c2cc3ccccc3cc2O)n1
InChIInChI=1S/C17H15N3O2/c1-11-7-16(22-2)20-17(19-11)18-10-14-8-12-5-3-4-6-13(12)9-15(14)21/h3-10,21H,1-2H3/b18-10+
InChIKeyVTVJTUYAKKSLLE-VCHYOVAHSA-N
MW293.33 g/mol
LogP3.40
Rot. Bonds3

About 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol

3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 171390941) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID171390941
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol
SMILESCOc1cc(C)nc(/N=C/c2cc3ccccc3cc2O)n1
InChIInChI=1S/C17H15N3O2/c1-11-7-16(22-2)20-17(19-11)18-10-14-8-12-5-3-4-6-13(12)9-15(14)21/h3-10,21H,1-2H3/b18-10+
InChIKeyVTVJTUYAKKSLLE-VCHYOVAHSA-N
XLogP3.40
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol (CID 171390941) is 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol is COc1cc(C)nc(/N=C/c2cc3ccccc3cc2O)n1.
What is the InChIKey of 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is VTVJTUYAKKSLLE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-16(22-2)20-17(19-11)18-10-14-8-12-5-3-4-6-13(12)9-15(14)21/h3-10,21H,1-2H3/b18-10+.
What are the key properties of 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol?
3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 293.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-methoxy-6-methylpyrimidin-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 171390941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).