2-ethoxypyrimidine-4-carbonitrile

C7H7N3O — CID 107545589

IUPAC2-ethoxypyrimidine-4-carbonitrile
SMILESCCOc1nccc(C#N)n1
InChIInChI=1S/C7H7N3O/c1-2-11-7-9-4-3-6(5-8)10-7/h3-4H,2H2,1H3
InChIKeySBMWWEXIKINCRM-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.75
Rot. Bonds2

About 2-ethoxypyrimidine-4-carbonitrile

2-ethoxypyrimidine-4-carbonitrile (PubChem CID 107545589) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2-ethoxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-ethoxypyrimidine-4-carbonitrile
PubChem CID107545589
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2-ethoxypyrimidine-4-carbonitrile
SMILESCCOc1nccc(C#N)n1
InChIInChI=1S/C7H7N3O/c1-2-11-7-9-4-3-6(5-8)10-7/h3-4H,2H2,1H3
InChIKeySBMWWEXIKINCRM-UHFFFAOYSA-N
XLogP0.75
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-hexoxypyrimidine-4-carbonitrile
CID 107545762
2-[2-(methylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553088
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
2-butan-2-yloxypyrimidine-4-carbonitrile
CID 107545828
2-(cyclopropylmethoxy)pyrimidine-4-carbonitrile
CID 107545734
2-(1-ethoxypropan-2-yloxy)pyrimidine-4-carbonitrile
CID 107546099
2-[2-(propan-2-ylamino)ethoxy]pyrimidine-4-carbonitrile
CID 107553105
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
4-chloro-2-ethoxypyrimidine
CID 13244895
2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
CID 107546006
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702

Frequently Asked Questions

What is the IUPAC name of 2-ethoxypyrimidine-4-carbonitrile?
The IUPAC name of 2-ethoxypyrimidine-4-carbonitrile (CID 107545589) is 2-ethoxypyrimidine-4-carbonitrile.
What is the SMILES notation for 2-ethoxypyrimidine-4-carbonitrile?
The canonical SMILES for 2-ethoxypyrimidine-4-carbonitrile is CCOc1nccc(C#N)n1.
What is the InChIKey of 2-ethoxypyrimidine-4-carbonitrile?
The InChIKey is SBMWWEXIKINCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-11-7-9-4-3-6(5-8)10-7/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxypyrimidine-4-carbonitrile?
2-ethoxypyrimidine-4-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107545589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).