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

C7H8N4 — CID 521618

IUPAC(4,6-dimethylpyrimidin-2-yl)cyanamide
SMILESCc1cc(C)nc(NC#N)n1
InChIInChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)
InChIKeyIOQKVEQARXJQKM-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.99
Rot. Bonds1

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

(4,6-dimethylpyrimidin-2-yl)cyanamide (PubChem CID 521618) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)cyanamide
PubChem CID521618
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name(4,6-dimethylpyrimidin-2-yl)cyanamide
SMILESCc1cc(C)nc(NC#N)n1
InChIInChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11)
InChIKeyIOQKVEQARXJQKM-UHFFFAOYSA-N
XLogP0.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
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 (4,6-dimethylpyrimidin-2-yl)cyanamide?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)cyanamide (CID 521618) is (4,6-dimethylpyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)cyanamide?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)cyanamide is Cc1cc(C)nc(NC#N)n1.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)cyanamide?
The InChIKey is IOQKVEQARXJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-3-6(2)11-7(10-5)9-4-8/h3H,1-2H3,(H,9,10,11).
What are the key properties of (4,6-dimethylpyrimidin-2-yl)cyanamide?
(4,6-dimethylpyrimidin-2-yl)cyanamide has a molecular weight of 148.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)cyanamide is sourced from PubChem (CID 521618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).