(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide

C6H6N4O — CID 135454173

IUPAC(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESCc1cc(=O)[nH]c(NC#N)n1
InChIInChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11)
InChIKeyWGBRHUINONWPFT-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.03
Rot. Bonds1

About (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide

(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide (PubChem CID 135454173) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Name(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
PubChem CID135454173
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide
SMILESCc1cc(=O)[nH]c(NC#N)n1
InChIInChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11)
InChIKeyWGBRHUINONWPFT-UHFFFAOYSA-N
XLogP-0.03
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.03
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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Frequently Asked Questions

What is the IUPAC name of (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The IUPAC name of (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide (CID 135454173) is (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide.
What is the SMILES notation for (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The canonical SMILES for (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide is Cc1cc(=O)[nH]c(NC#N)n1.
What is the InChIKey of (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
The InChIKey is WGBRHUINONWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-4-2-5(11)10-6(9-4)8-3-7/h2H,1H3,(H2,8,9,10,11).
What are the key properties of (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide?
(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide has a molecular weight of 150.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-6-oxo-1H-pyrimidin-2-yl)cyanamide is sourced from PubChem (CID 135454173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).