methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide

C16H18N4 — CID 116977843

IUPACmethyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide
SMILESCc1cc(C)c(C)c(-c2cnc(N(C)C#N)nc2)c1C
InChIInChI=1S/C16H18N4/c1-10-6-11(2)13(4)15(12(10)3)14-7-18-16(19-8-14)20(5)9-17/h6-8H,1-5H3
InChIKeyNEZRBBQATDBSJE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.29
Rot. Bonds2

About methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide

methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide (PubChem CID 116977843) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Namemethyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide
PubChem CID116977843
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Namemethyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide
SMILESCc1cc(C)c(C)c(-c2cnc(N(C)C#N)nc2)c1C
InChIInChI=1S/C16H18N4/c1-10-6-11(2)13(4)15(12(10)3)14-7-18-16(19-8-14)20(5)9-17/h6-8H,1-5H3
InChIKeyNEZRBBQATDBSJE-UHFFFAOYSA-N
XLogP3.29
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide?
The IUPAC name of methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide (CID 116977843) is methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide.
What is the SMILES notation for methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide?
The canonical SMILES for methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide is Cc1cc(C)c(C)c(-c2cnc(N(C)C#N)nc2)c1C.
What is the InChIKey of methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide?
The InChIKey is NEZRBBQATDBSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-6-11(2)13(4)15(12(10)3)14-7-18-16(19-8-14)20(5)9-17/h6-8H,1-5H3.
What are the key properties of methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide?
methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide has a molecular weight of 266.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 116977843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).