(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide

C15H16N4O — CID 3152233

IUPAC(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide
SMILESCOc1ccc(CN(C#N)c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H16N4O/c1-11-8-12(2)18-15(17-11)19(10-16)9-13-4-6-14(20-3)7-5-13/h4-8H,9H2,1-3H3
InChIKeyBJBWXSHCVPUZML-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.59
Rot. Bonds4

About (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide

(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide (PubChem CID 3152233) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide
PubChem CID3152233
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide
SMILESCOc1ccc(CN(C#N)c2nc(C)cc(C)n2)cc1
InChIInChI=1S/C15H16N4O/c1-11-8-12(2)18-15(17-11)19(10-16)9-13-4-6-14(20-3)7-5-13/h4-8H,9H2,1-3H3
InChIKeyBJBWXSHCVPUZML-UHFFFAOYSA-N
XLogP2.59
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide 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 (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide (CID 3152233) is (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide is COc1ccc(CN(C#N)c2nc(C)cc(C)n2)cc1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide?
The InChIKey is BJBWXSHCVPUZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-8-12(2)18-15(17-11)19(10-16)9-13-4-6-14(20-3)7-5-13/h4-8H,9H2,1-3H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide?
(4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide has a molecular weight of 268.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)-[(4-methoxyphenyl)methyl]cyanamide is sourced from PubChem (CID 3152233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).