1-(2-methylpropanimidoyl)pyrimidin-2-imine

C8H12N4 — CID 170573392

IUPAC1-(2-methylpropanimidoyl)pyrimidin-2-imine
SMILES[H]/N=C(\C(C)C)n1cccn/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6(2)7(9)12-5-3-4-11-8(12)10/h3-6,9-10H,1-2H3/b9-7+,10-8+
InChIKeyZWQVOJYPYLNJBG-FIFLTTCUSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds1

About 1-(2-methylpropanimidoyl)pyrimidin-2-imine

1-(2-methylpropanimidoyl)pyrimidin-2-imine (PubChem CID 170573392) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(2-methylpropanimidoyl)pyrimidin-2-imine.

Molecular Properties

Compound Name1-(2-methylpropanimidoyl)pyrimidin-2-imine
PubChem CID170573392
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name1-(2-methylpropanimidoyl)pyrimidin-2-imine
SMILES[H]/N=C(\C(C)C)n1cccn/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6(2)7(9)12-5-3-4-11-8(12)10/h3-6,9-10H,1-2H3/b9-7+,10-8+
InChIKeyZWQVOJYPYLNJBG-FIFLTTCUSA-N
XLogP0.84
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(2-methylpropanimidoyl)pyrimidin-2-imine?
The IUPAC name of 1-(2-methylpropanimidoyl)pyrimidin-2-imine (CID 170573392) is 1-(2-methylpropanimidoyl)pyrimidin-2-imine.
What is the SMILES notation for 1-(2-methylpropanimidoyl)pyrimidin-2-imine?
The canonical SMILES for 1-(2-methylpropanimidoyl)pyrimidin-2-imine is [H]/N=C(\C(C)C)n1cccn/c1=N\[H].
What is the InChIKey of 1-(2-methylpropanimidoyl)pyrimidin-2-imine?
The InChIKey is ZWQVOJYPYLNJBG-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H12N4/c1-6(2)7(9)12-5-3-4-11-8(12)10/h3-6,9-10H,1-2H3/b9-7+,10-8+.
What are the key properties of 1-(2-methylpropanimidoyl)pyrimidin-2-imine?
1-(2-methylpropanimidoyl)pyrimidin-2-imine has a molecular weight of 164.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanimidoyl)pyrimidin-2-imine is sourced from PubChem (CID 170573392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).