N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine

C7H11N3 — CID 121327338

IUPACN-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
SMILESC=NN1CN=C(C)C=C1C
InChIInChI=1S/C7H11N3/c1-6-4-7(2)10(8-3)5-9-6/h4H,3,5H2,1-2H3
InChIKeyDFVNDMGRUBALSG-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.24
Rot. Bonds1

About N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine

N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine (PubChem CID 121327338) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine.

Molecular Properties

Compound NameN-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
PubChem CID121327338
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
SMILESC=NN1CN=C(C)C=C1C
InChIInChI=1S/C7H11N3/c1-6-4-7(2)10(8-3)5-9-6/h4H,3,5H2,1-2H3
InChIKeyDFVNDMGRUBALSG-UHFFFAOYSA-N
XLogP1.24
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The IUPAC name of N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine (CID 121327338) is N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine.
What is the SMILES notation for N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The canonical SMILES for N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine is C=NN1CN=C(C)C=C1C.
What is the InChIKey of N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The InChIKey is DFVNDMGRUBALSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-4-7(2)10(8-3)5-9-6/h4H,3,5H2,1-2H3.
What are the key properties of N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine has a molecular weight of 137.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine is sourced from PubChem (CID 121327338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).