(2-methylidenepyrimidin-1-yl)methanimine

C6H7N3 — CID 170198433

IUPAC(2-methylidenepyrimidin-1-yl)methanimine
SMILES[H]/N=C/N1C=CC=NC1=C
InChIInChI=1S/C6H7N3/c1-6-8-3-2-4-9(6)5-7/h2-5,7H,1H2/b7-5+
InChIKeyUSPDNHUVTBUFKX-FNORWQNLSA-N
MW121.14 g/mol
LogP0.96
Rot. Bonds1

About (2-methylidenepyrimidin-1-yl)methanimine

(2-methylidenepyrimidin-1-yl)methanimine (PubChem CID 170198433) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (2-methylidenepyrimidin-1-yl)methanimine.

Molecular Properties

Compound Name(2-methylidenepyrimidin-1-yl)methanimine
PubChem CID170198433
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name(2-methylidenepyrimidin-1-yl)methanimine
SMILES[H]/N=C/N1C=CC=NC1=C
InChIInChI=1S/C6H7N3/c1-6-8-3-2-4-9(6)5-7/h2-5,7H,1H2/b7-5+
InChIKeyUSPDNHUVTBUFKX-FNORWQNLSA-N
XLogP0.96
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylidenepyrimidin-1-yl)methanimine?
The IUPAC name of (2-methylidenepyrimidin-1-yl)methanimine (CID 170198433) is (2-methylidenepyrimidin-1-yl)methanimine.
What is the SMILES notation for (2-methylidenepyrimidin-1-yl)methanimine?
The canonical SMILES for (2-methylidenepyrimidin-1-yl)methanimine is [H]/N=C/N1C=CC=NC1=C.
What is the InChIKey of (2-methylidenepyrimidin-1-yl)methanimine?
The InChIKey is USPDNHUVTBUFKX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H7N3/c1-6-8-3-2-4-9(6)5-7/h2-5,7H,1H2/b7-5+.
What are the key properties of (2-methylidenepyrimidin-1-yl)methanimine?
(2-methylidenepyrimidin-1-yl)methanimine has a molecular weight of 121.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylidenepyrimidin-1-yl)methanimine is sourced from PubChem (CID 170198433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).