N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

C12H18N6O — CID 15355321

IUPACN'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCCOc1nc(N(C)C)nc(/N=C/N(C)C)c1C#N
InChIInChI=1S/C12H18N6O/c1-6-19-11-9(7-13)10(14-8-17(2)3)15-12(16-11)18(4)5/h8H,6H2,1-5H3/b14-8+
InChIKeyKEBXIHWJSZBNLS-RIYZIHGNSA-N
MW262.32 g/mol
LogP1.03
Rot. Bonds5

About N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide

N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (PubChem CID 15355321) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
PubChem CID15355321
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide
SMILESCCOc1nc(N(C)C)nc(/N=C/N(C)C)c1C#N
InChIInChI=1S/C12H18N6O/c1-6-19-11-9(7-13)10(14-8-17(2)3)15-12(16-11)18(4)5/h8H,6H2,1-5H3/b14-8+
InChIKeyKEBXIHWJSZBNLS-RIYZIHGNSA-N
XLogP1.03
TPSA77.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide (CID 15355321) is N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is CCOc1nc(N(C)C)nc(/N=C/N(C)C)c1C#N.
What is the InChIKey of N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
The InChIKey is KEBXIHWJSZBNLS-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H18N6O/c1-6-19-11-9(7-13)10(14-8-17(2)3)15-12(16-11)18(4)5/h8H,6H2,1-5H3/b14-8+.
What are the key properties of N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide?
N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide has a molecular weight of 262.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-2-(dimethylamino)-6-ethoxypyrimidin-4-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 15355321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).