(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide

C15H16N4O — CID 750969

IUPAC(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide
SMILESCc1cc(C)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-12-10-13(2)18-15(17-12)19(11-16)8-9-20-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3
InChIKeyKDZAFEAXRMURGE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.46
Rot. Bonds5

About (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide

(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide (PubChem CID 750969) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide
PubChem CID750969
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide
SMILESCc1cc(C)nc(N(C#N)CCOc2ccccc2)n1
InChIInChI=1S/C15H16N4O/c1-12-10-13(2)18-15(17-12)19(11-16)8-9-20-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3
InChIKeyKDZAFEAXRMURGE-UHFFFAOYSA-N
XLogP2.46
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.46
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'}

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide (CID 750969) is (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide is Cc1cc(C)nc(N(C#N)CCOc2ccccc2)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide?
The InChIKey is KDZAFEAXRMURGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-12-10-13(2)18-15(17-12)19(11-16)8-9-20-14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide?
(4,6-dimethylpyrimidin-2-yl)-(2-phenoxyethyl)cyanamide has a molecular weight of 268.32 g/mol, XLogP of 2.46, 5 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)-(2-phenoxyethyl)cyanamide is sourced from PubChem (CID 750969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).