(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide

C7H8N4O — CID 135629268

IUPAC(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESCc1nc(NC#N)[nH]c(=O)c1C
InChIInChI=1S/C7H8N4O/c1-4-5(2)10-7(9-3-8)11-6(4)12/h1-2H3,(H2,9,10,11,12)
InChIKeyDKOWRUQELBFYFO-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.28
Rot. Bonds1

About (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide

(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide (PubChem CID 135629268) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
PubChem CID135629268
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESCc1nc(NC#N)[nH]c(=O)c1C
InChIInChI=1S/C7H8N4O/c1-4-5(2)10-7(9-3-8)11-6(4)12/h1-2H3,(H2,9,10,11,12)
InChIKeyDKOWRUQELBFYFO-UHFFFAOYSA-N
XLogP0.28
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.28
H-Bond Donors ≤ 52
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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Related Compounds

4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
5,6-Dimethylisocytosine
CID 135402388
Pirimicarb-desamido
CID 135420611
2-Amino-3,5,6-trimethylpyrimidin-4-one
CID 2822937
2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-1,1-dimethylguanidine
CID 135845994
2-Amino-6-methyl-5-(trifluoromethyl)-4(3H)-pyrimidinone
CID 135955182
2,6-diamino-5-methyl-1H-pyrimidin-4-one
CID 135413061
2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-1,1-dimethyl-guanidine
CID 135428300
2-(Ethylamino)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135581387
2-Amino-5-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 136197502
2-Amino-6-ethyl-5-methylpyrimidin-4-ol
CID 135431426
2-amino-4-ethyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 136321303

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The IUPAC name of (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide (CID 135629268) is (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The canonical SMILES for (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide is Cc1nc(NC#N)[nH]c(=O)c1C.
What is the InChIKey of (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The InChIKey is DKOWRUQELBFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-5(2)10-7(9-3-8)11-6(4)12/h1-2H3,(H2,9,10,11,12).
What are the key properties of (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide has a molecular weight of 164.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)cyanamide is sourced from PubChem (CID 135629268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).