5-methoxypyrimidine-2-carbonitrile

C6H5N3O — CID 3715049

IUPAC5-methoxypyrimidine-2-carbonitrile
SMILESCOc1cnc(C#N)nc1
InChIInChI=1S/C6H5N3O/c1-10-5-3-8-6(2-7)9-4-5/h3-4H,1H3
InChIKeyXNTMYEPSFCHEPA-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.36
Rot. Bonds1

About 5-methoxypyrimidine-2-carbonitrile

5-methoxypyrimidine-2-carbonitrile (PubChem CID 3715049) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-methoxypyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-methoxypyrimidine-2-carbonitrile
PubChem CID3715049
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5-methoxypyrimidine-2-carbonitrile
SMILESCOc1cnc(C#N)nc1
InChIInChI=1S/C6H5N3O/c1-10-5-3-8-6(2-7)9-4-5/h3-4H,1H3
InChIKeyXNTMYEPSFCHEPA-UHFFFAOYSA-N
XLogP0.36
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxypyrimidine-2-carbonitrile?
The IUPAC name of 5-methoxypyrimidine-2-carbonitrile (CID 3715049) is 5-methoxypyrimidine-2-carbonitrile.
What is the SMILES notation for 5-methoxypyrimidine-2-carbonitrile?
The canonical SMILES for 5-methoxypyrimidine-2-carbonitrile is COc1cnc(C#N)nc1.
What is the InChIKey of 5-methoxypyrimidine-2-carbonitrile?
The InChIKey is XNTMYEPSFCHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-10-5-3-8-6(2-7)9-4-5/h3-4H,1H3.
What are the key properties of 5-methoxypyrimidine-2-carbonitrile?
5-methoxypyrimidine-2-carbonitrile has a molecular weight of 135.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxypyrimidine-2-carbonitrile is sourced from PubChem (CID 3715049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).