N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine

C13H15N5O — CID 51050005

IUPACN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
SMILESCCc1ccc(/C=N/Nc2cc(OC)ncn2)nc1
InChIInChI=1S/C13H15N5O/c1-3-10-4-5-11(14-7-10)8-17-18-12-6-13(19-2)16-9-15-12/h4-9H,3H2,1-2H3,(H,15,16,18)/b17-8+
InChIKeyLLJKEGAJHILFJK-CAOOACKPSA-N
MW257.30 g/mol
LogP1.89
Rot. Bonds5

About N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine

N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine (PubChem CID 51050005) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
PubChem CID51050005
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine
SMILESCCc1ccc(/C=N/Nc2cc(OC)ncn2)nc1
InChIInChI=1S/C13H15N5O/c1-3-10-4-5-11(14-7-10)8-17-18-12-6-13(19-2)16-9-15-12/h4-9H,3H2,1-2H3,(H,15,16,18)/b17-8+
InChIKeyLLJKEGAJHILFJK-CAOOACKPSA-N
XLogP1.89
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.89
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 N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine (CID 51050005) is N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine is CCc1ccc(/C=N/Nc2cc(OC)ncn2)nc1.
What is the InChIKey of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine?
The InChIKey is LLJKEGAJHILFJK-CAOOACKPSA-N. The full InChI is InChI=1S/C13H15N5O/c1-3-10-4-5-11(14-7-10)8-17-18-12-6-13(19-2)16-9-15-12/h4-9H,3H2,1-2H3,(H,15,16,18)/b17-8+.
What are the key properties of N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine?
N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-ethyl-2-pyridinyl)methylideneamino]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 51050005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).