N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

C18H19N5O2 — CID 4177890

IUPACN-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(-c2ccccn2)nc(-c2ccccn2)n1)OC
InChIInChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-11-15(13-7-3-5-9-19-13)22-18(23-16)14-8-4-6-10-20-14/h3-11,17H,12H2,1-2H3,(H,21,22,23)
InChIKeyXXERZVFXAKYLEL-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 4177890) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID4177890
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCOC(CNc1cc(-c2ccccn2)nc(-c2ccccn2)n1)OC
InChIInChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-11-15(13-7-3-5-9-19-13)22-18(23-16)14-8-4-6-10-20-14/h3-11,17H,12H2,1-2H3,(H,21,22,23)
InChIKeyXXERZVFXAKYLEL-UHFFFAOYSA-N
XLogP2.63
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 4177890) is N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is COC(CNc1cc(-c2ccccn2)nc(-c2ccccn2)n1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is XXERZVFXAKYLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-17(25-2)12-21-16-11-15(13-7-3-5-9-19-13)22-18(23-16)14-8-4-6-10-20-14/h3-11,17H,12H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 337.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 4177890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).