6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine

C11H11N5O — CID 162657292

IUPAC6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
SMILESCOc1cc(N/N=C/c2ccccn2)ncn1
InChIInChI=1S/C11H11N5O/c1-17-11-6-10(13-8-14-11)16-15-7-9-4-2-3-5-12-9/h2-8H,1H3,(H,13,14,16)/b15-7+
InChIKeyUDHJJGRZTBKSGH-VIZOYTHASA-N
MW229.24 g/mol
LogP1.33
Rot. Bonds4

About 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine

6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine (PubChem CID 162657292) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
PubChem CID162657292
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
SMILESCOc1cc(N/N=C/c2ccccn2)ncn1
InChIInChI=1S/C11H11N5O/c1-17-11-6-10(13-8-14-11)16-15-7-9-4-2-3-5-12-9/h2-8H,1H3,(H,13,14,16)/b15-7+
InChIKeyUDHJJGRZTBKSGH-VIZOYTHASA-N
XLogP1.33
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine (CID 162657292) is 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine is COc1cc(N/N=C/c2ccccn2)ncn1.
What is the InChIKey of 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine?
The InChIKey is UDHJJGRZTBKSGH-VIZOYTHASA-N. The full InChI is InChI=1S/C11H11N5O/c1-17-11-6-10(13-8-14-11)16-15-7-9-4-2-3-5-12-9/h2-8H,1H3,(H,13,14,16)/b15-7+.
What are the key properties of 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine?
6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine has a molecular weight of 229.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 162657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).