N'-tert-butyl-N-pyrimidin-2-ylmethanediimine

C9H12N4 — CID 10374959

IUPACN'-tert-butyl-N-pyrimidin-2-ylmethanediimine
SMILESCC(C)(C)N=C=Nc1ncccn1
InChIInChI=1S/C9H12N4/c1-9(2,3)13-7-12-8-10-5-4-6-11-8/h4-6H,1-3H3
InChIKeyHBUULYPDUNYUPT-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.08
Rot. Bonds1

About N'-tert-butyl-N-pyrimidin-2-ylmethanediimine

N'-tert-butyl-N-pyrimidin-2-ylmethanediimine (PubChem CID 10374959) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N'-tert-butyl-N-pyrimidin-2-ylmethanediimine.

Molecular Properties

Compound NameN'-tert-butyl-N-pyrimidin-2-ylmethanediimine
PubChem CID10374959
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN'-tert-butyl-N-pyrimidin-2-ylmethanediimine
SMILESCC(C)(C)N=C=Nc1ncccn1
InChIInChI=1S/C9H12N4/c1-9(2,3)13-7-12-8-10-5-4-6-11-8/h4-6H,1-3H3
InChIKeyHBUULYPDUNYUPT-UHFFFAOYSA-N
XLogP2.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
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 N'-tert-butyl-N-pyrimidin-2-ylmethanediimine?
The IUPAC name of N'-tert-butyl-N-pyrimidin-2-ylmethanediimine (CID 10374959) is N'-tert-butyl-N-pyrimidin-2-ylmethanediimine.
What is the SMILES notation for N'-tert-butyl-N-pyrimidin-2-ylmethanediimine?
The canonical SMILES for N'-tert-butyl-N-pyrimidin-2-ylmethanediimine is CC(C)(C)N=C=Nc1ncccn1.
What is the InChIKey of N'-tert-butyl-N-pyrimidin-2-ylmethanediimine?
The InChIKey is HBUULYPDUNYUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,3)13-7-12-8-10-5-4-6-11-8/h4-6H,1-3H3.
What are the key properties of N'-tert-butyl-N-pyrimidin-2-ylmethanediimine?
N'-tert-butyl-N-pyrimidin-2-ylmethanediimine has a molecular weight of 176.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-pyrimidin-2-ylmethanediimine is sourced from PubChem (CID 10374959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).