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

C7H11N3 — CID 121328459

IUPAC(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
SMILES[H]/N=C/N1CN=C(C)C=C1C
InChIInChI=1S/C7H11N3/c1-6-3-7(2)10(4-8)5-9-6/h3-4,8H,5H2,1-2H3/b8-4+
InChIKeyKLLXMQXAOQLXGI-XBXARRHUSA-N
MW137.19 g/mol
LogP1.23
Rot. Bonds1

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

(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine (PubChem CID 121328459) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine.

Molecular Properties

Compound Name(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
PubChem CID121328459
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine
SMILES[H]/N=C/N1CN=C(C)C=C1C
InChIInChI=1S/C7H11N3/c1-6-3-7(2)10(4-8)5-9-6/h3-4,8H,5H2,1-2H3/b8-4+
InChIKeyKLLXMQXAOQLXGI-XBXARRHUSA-N
XLogP1.23
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.23
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 (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The IUPAC name of (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine (CID 121328459) is (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine.
What is the SMILES notation for (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The canonical SMILES for (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine is [H]/N=C/N1CN=C(C)C=C1C.
What is the InChIKey of (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
The InChIKey is KLLXMQXAOQLXGI-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-3-7(2)10(4-8)5-9-6/h3-4,8H,5H2,1-2H3/b8-4+.
What are the key properties of (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine?
(4,6-dimethyl-2H-pyrimidin-1-yl)methanimine has a molecular weight of 137.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2H-pyrimidin-1-yl)methanimine is sourced from PubChem (CID 121328459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).