N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine

C20H22N6O — CID 123461657

IUPACN-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine
SMILESCC(=NOCCCc1cc(C)nc(-c2cccc(C)n2)n1)c1ncccn1
InChIInChI=1S/C20H22N6O/c1-14-7-4-9-18(23-14)20-24-15(2)13-17(25-20)8-5-12-27-26-16(3)19-21-10-6-11-22-19/h4,6-7,9-11,13H,5,8,12H2,1-3H3
InChIKeyAFGIZNASTUGKIR-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.32
Rot. Bonds7

About N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine

N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine (PubChem CID 123461657) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine.

Molecular Properties

Compound NameN-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine
PubChem CID123461657
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine
SMILESCC(=NOCCCc1cc(C)nc(-c2cccc(C)n2)n1)c1ncccn1
InChIInChI=1S/C20H22N6O/c1-14-7-4-9-18(23-14)20-24-15(2)13-17(25-20)8-5-12-27-26-16(3)19-21-10-6-11-22-19/h4,6-7,9-11,13H,5,8,12H2,1-3H3
InChIKeyAFGIZNASTUGKIR-UHFFFAOYSA-N
XLogP3.32
TPSA86.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine?
The IUPAC name of N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine (CID 123461657) is N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine.
What is the SMILES notation for N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine?
The canonical SMILES for N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine is CC(=NOCCCc1cc(C)nc(-c2cccc(C)n2)n1)c1ncccn1.
What is the InChIKey of N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine?
The InChIKey is AFGIZNASTUGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-7-4-9-18(23-14)20-24-15(2)13-17(25-20)8-5-12-27-26-16(3)19-21-10-6-11-22-19/h4,6-7,9-11,13H,5,8,12H2,1-3H3.
What are the key properties of N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine?
N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine has a molecular weight of 362.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propoxy]-1-pyrimidin-2-ylethanimine is sourced from PubChem (CID 123461657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).