4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine

C18H17N5O2 — CID 6383510

IUPAC4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N/N=C(\c2ccccc2)c2ccncc2)n1
InChIInChI=1S/C18H17N5O2/c1-24-15-12-16(25-2)21-18(20-15)23-22-17(13-6-4-3-5-7-13)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,20,21,23)/b22-17+
InChIKeyLXUVRLSCWQECPK-OQKWZONESA-N
MW335.37 g/mol
LogP2.75
Rot. Bonds6

About 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine

4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine (PubChem CID 6383510) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine
PubChem CID6383510
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine
SMILESCOc1cc(OC)nc(N/N=C(\c2ccccc2)c2ccncc2)n1
InChIInChI=1S/C18H17N5O2/c1-24-15-12-16(25-2)21-18(20-15)23-22-17(13-6-4-3-5-7-13)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,20,21,23)/b22-17+
InChIKeyLXUVRLSCWQECPK-OQKWZONESA-N
XLogP2.75
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine (CID 6383510) is 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine is COc1cc(OC)nc(N/N=C(\c2ccccc2)c2ccncc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine?
The InChIKey is LXUVRLSCWQECPK-OQKWZONESA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-15-12-16(25-2)21-18(20-15)23-22-17(13-6-4-3-5-7-13)14-8-10-19-11-9-14/h3-12H,1-2H3,(H,20,21,23)/b22-17+.
What are the key properties of 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine?
4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]pyrimidin-2-amine is sourced from PubChem (CID 6383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).