N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide

C9H14N4 — CID 134867267

IUPACN'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide
SMILESC=C1C=C(/N=C/N)N(C)C(=C)N1C
InChIInChI=1S/C9H14N4/c1-7-5-9(11-6-10)13(4)8(2)12(7)3/h5-6H,1-2H2,3-4H3,(H2,10,11)
InChIKeyDEEABJSPBSIBNO-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.68
Rot. Bonds1

About N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide

N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide (PubChem CID 134867267) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide
PubChem CID134867267
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC NameN'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide
SMILESC=C1C=C(/N=C/N)N(C)C(=C)N1C
InChIInChI=1S/C9H14N4/c1-7-5-9(11-6-10)13(4)8(2)12(7)3/h5-6H,1-2H2,3-4H3,(H2,10,11)
InChIKeyDEEABJSPBSIBNO-UHFFFAOYSA-N
XLogP0.68
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N-(6-methylidene-1H-pyrimidin-4-yl)methanimidamide
CID 141790494
1-methyl-6-methylidene-N-prop-1-en-2-ylpyrimidin-4-amine
CID 155001988
6-(iminomethylidene)-N,3-dimethylpyrimidin-4-amine
CID 23423849

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide?
The IUPAC name of N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide (CID 134867267) is N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide.
What is the SMILES notation for N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide?
The canonical SMILES for N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide is C=C1C=C(/N=C/N)N(C)C(=C)N1C.
What is the InChIKey of N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide?
The InChIKey is DEEABJSPBSIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-5-9(11-6-10)13(4)8(2)12(7)3/h5-6H,1-2H2,3-4H3,(H2,10,11).
What are the key properties of N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide?
N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide has a molecular weight of 178.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,6-dimethylidenepyrimidin-4-yl)methanimidamide is sourced from PubChem (CID 134867267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).