6-methoxypyrimidine-4-carbonitrile

C6H5N3O — CID 59238022

IUPAC6-methoxypyrimidine-4-carbonitrile
SMILESCOc1cc(C#N)ncn1
InChIInChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3
InChIKeyOOUKVQBOJCUSAQ-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.36
Rot. Bonds1

About 6-methoxypyrimidine-4-carbonitrile

6-methoxypyrimidine-4-carbonitrile (PubChem CID 59238022) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methoxypyrimidine-4-carbonitrile
PubChem CID59238022
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name6-methoxypyrimidine-4-carbonitrile
SMILESCOc1cc(C#N)ncn1
InChIInChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3
InChIKeyOOUKVQBOJCUSAQ-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 6-methoxypyrimidine-4-carbonitrile?
The IUPAC name of 6-methoxypyrimidine-4-carbonitrile (CID 59238022) is 6-methoxypyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methoxypyrimidine-4-carbonitrile?
The canonical SMILES for 6-methoxypyrimidine-4-carbonitrile is COc1cc(C#N)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-carbonitrile?
The InChIKey is OOUKVQBOJCUSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,1H3.
What are the key properties of 6-methoxypyrimidine-4-carbonitrile?
6-methoxypyrimidine-4-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 6-methoxypyrimidine-4-carbonitrile is sourced from PubChem (CID 59238022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).