N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine

C9H15N3 — CID 135998248

IUPACN-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/C)C=CN1C(C)C
InChIInChI=1S/C9H15N3/c1-7(2)12-6-5-9(10-4)11-8(12)3/h5-7H,3H2,1-2,4H3,(H,10,11)
InChIKeyJMKCGMXPXUCPIW-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.31
Rot. Bonds1

About N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine

N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (PubChem CID 135998248) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.

Molecular Properties

Compound NameN-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
PubChem CID135998248
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine
SMILESC=C1N/C(=N/C)C=CN1C(C)C
InChIInChI=1S/C9H15N3/c1-7(2)12-6-5-9(10-4)11-8(12)3/h5-7H,3H2,1-2,4H3,(H,10,11)
InChIKeyJMKCGMXPXUCPIW-UHFFFAOYSA-N
XLogP1.31
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The IUPAC name of N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine (CID 135998248) is N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine.
What is the SMILES notation for N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The canonical SMILES for N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is C=C1N/C(=N/C)C=CN1C(C)C.
What is the InChIKey of N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
The InChIKey is JMKCGMXPXUCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)12-6-5-9(10-4)11-8(12)3/h5-7H,3H2,1-2,4H3,(H,10,11).
What are the key properties of N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine?
N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine has a molecular weight of 165.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-1-propan-2-ylpyrimidin-4-imine is sourced from PubChem (CID 135998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).