2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine

C12H16N4 — CID 121280576

IUPAC2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine
SMILES[H]/N=C/C(C1=CC=CCN1)C1C=CNC(C)=N1
InChIInChI=1S/C12H16N4/c1-9-14-7-5-12(16-9)10(8-13)11-4-2-3-6-15-11/h2-5,7-8,10,12-13,15H,6H2,1H3,(H,14,16)/b13-8+
InChIKeyGKTBOGBEDBUMAK-MDWZMJQESA-N
MW216.29 g/mol
LogP1.20
Rot. Bonds3

About 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine

2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine (PubChem CID 121280576) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine
PubChem CID121280576
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine
SMILES[H]/N=C/C(C1=CC=CCN1)C1C=CNC(C)=N1
InChIInChI=1S/C12H16N4/c1-9-14-7-5-12(16-9)10(8-13)11-4-2-3-6-15-11/h2-5,7-8,10,12-13,15H,6H2,1H3,(H,14,16)/b13-8+
InChIKeyGKTBOGBEDBUMAK-MDWZMJQESA-N
XLogP1.20
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine?
The IUPAC name of 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine (CID 121280576) is 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine.
What is the SMILES notation for 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine?
The canonical SMILES for 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine is [H]/N=C/C(C1=CC=CCN1)C1C=CNC(C)=N1.
What is the InChIKey of 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine?
The InChIKey is GKTBOGBEDBUMAK-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-7-5-12(16-9)10(8-13)11-4-2-3-6-15-11/h2-5,7-8,10,12-13,15H,6H2,1H3,(H,14,16)/b13-8+.
What are the key properties of 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine?
2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine has a molecular weight of 216.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-6-yl)-2-(2-methyl-1,4-dihydropyrimidin-4-yl)ethanimine is sourced from PubChem (CID 121280576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).