ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide

C9H12N4O — CID 6457592

IUPACethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide
SMILESCCN(C#N)c1nc(C)cc(OC)n1
InChIInChI=1S/C9H12N4O/c1-4-13(6-10)9-11-7(2)5-8(12-9)14-3/h5H,4H2,1-3H3
InChIKeyJYDRQLJNRRJECE-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.10
Rot. Bonds3

About ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide

ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide (PubChem CID 6457592) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide.

Molecular Properties

Compound Nameethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide
PubChem CID6457592
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Nameethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide
SMILESCCN(C#N)c1nc(C)cc(OC)n1
InChIInChI=1S/C9H12N4O/c1-4-13(6-10)9-11-7(2)5-8(12-9)14-3/h5H,4H2,1-3H3
InChIKeyJYDRQLJNRRJECE-UHFFFAOYSA-N
XLogP1.10
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.10
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 ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide?
The IUPAC name of ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide (CID 6457592) is ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide.
What is the SMILES notation for ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide?
The canonical SMILES for ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide is CCN(C#N)c1nc(C)cc(OC)n1.
What is the InChIKey of ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide?
The InChIKey is JYDRQLJNRRJECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-4-13(6-10)9-11-7(2)5-8(12-9)14-3/h5H,4H2,1-3H3.
What are the key properties of ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide?
ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide has a molecular weight of 192.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(4-methoxy-6-methylpyrimidin-2-yl)cyanamide is sourced from PubChem (CID 6457592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).