N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

C16H18N4O — CID 3238112

IUPACN'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1
InChIInChI=1S/C16H18N4O/c1-11(21)14-15(13-8-6-5-7-9-13)18-12(2)19-16(14)17-10-20(3)4/h5-10H,1-4H3/b17-10+
InChIKeyRYGSFVIUECDRSU-LICLKQGHSA-N
MW282.35 g/mol
LogP2.88
Rot. Bonds4

About N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 3238112) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID3238112
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCC(=O)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1
InChIInChI=1S/C16H18N4O/c1-11(21)14-15(13-8-6-5-7-9-13)18-12(2)19-16(14)17-10-20(3)4/h5-10H,1-4H3/b17-10+
InChIKeyRYGSFVIUECDRSU-LICLKQGHSA-N
XLogP2.88
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.88
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-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 3238112) is N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is CC(=O)c1c(/N=C/N(C)C)nc(C)nc1-c1ccccc1.
What is the InChIKey of N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is RYGSFVIUECDRSU-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(21)14-15(13-8-6-5-7-9-13)18-12(2)19-16(14)17-10-20(3)4/h5-10H,1-4H3/b17-10+.
What are the key properties of N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 282.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 3238112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).