N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

C9H12N4O — CID 156598329

IUPACN'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cncnc1/N=C/N(C)C
InChIInChI=1S/C9H12N4O/c1-7(14)8-4-10-5-11-9(8)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyHYKRXGBBEWQYPV-WUXMJOGZSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds3

About N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 156598329) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID156598329
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1cncnc1/N=C/N(C)C
InChIInChI=1S/C9H12N4O/c1-7(14)8-4-10-5-11-9(8)12-6-13(2)3/h4-6H,1-3H3/b12-6+
InChIKeyHYKRXGBBEWQYPV-WUXMJOGZSA-N
XLogP0.90
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 156598329) is N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is CC(=O)c1cncnc1/N=C/N(C)C.
What is the InChIKey of N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is HYKRXGBBEWQYPV-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(14)8-4-10-5-11-9(8)12-6-13(2)3/h4-6H,1-3H3/b12-6+.
What are the key properties of N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 192.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 156598329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).