4,6-dimethoxypyrimidine-2-carbonitrile

C7H7N3O2 — CID 21466113

IUPAC4,6-dimethoxypyrimidine-2-carbonitrile
SMILESCOc1cc(OC)nc(C#N)n1
InChIInChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
InChIKeyJKBOPKHTARFXNE-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.37
Rot. Bonds2

About 4,6-dimethoxypyrimidine-2-carbonitrile

4,6-dimethoxypyrimidine-2-carbonitrile (PubChem CID 21466113) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4,6-dimethoxypyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4,6-dimethoxypyrimidine-2-carbonitrile
PubChem CID21466113
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4,6-dimethoxypyrimidine-2-carbonitrile
SMILESCOc1cc(OC)nc(C#N)n1
InChIInChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3
InChIKeyJKBOPKHTARFXNE-UHFFFAOYSA-N
XLogP0.37
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Etrimfos
CID 37995
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
4-Chloro-2,6-dimethoxypyrimidine
CID 80600
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323
2,4-Diamino-6-methoxypyrimidine
CID 816925
4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidine
CID 90342261
2-Amino-6-fluoro-4-methoxypyrimidine
CID 759140
4,6-Dimethoxy-2-methylthiopyrimidine
CID 2746756

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxypyrimidine-2-carbonitrile?
The IUPAC name of 4,6-dimethoxypyrimidine-2-carbonitrile (CID 21466113) is 4,6-dimethoxypyrimidine-2-carbonitrile.
What is the SMILES notation for 4,6-dimethoxypyrimidine-2-carbonitrile?
The canonical SMILES for 4,6-dimethoxypyrimidine-2-carbonitrile is COc1cc(OC)nc(C#N)n1.
What is the InChIKey of 4,6-dimethoxypyrimidine-2-carbonitrile?
The InChIKey is JKBOPKHTARFXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3H,1-2H3.
What are the key properties of 4,6-dimethoxypyrimidine-2-carbonitrile?
4,6-dimethoxypyrimidine-2-carbonitrile has a molecular weight of 165.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxypyrimidine-2-carbonitrile is sourced from PubChem (CID 21466113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).