2-(4,6-dimethylpyrimidin-5-yl)acetonitrile

C8H9N3 — CID 84763015

IUPAC2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
SMILESCc1ncnc(C)c1CC#N
InChIInChI=1S/C8H9N3/c1-6-8(3-4-9)7(2)11-5-10-6/h5H,3H2,1-2H3
InChIKeyOCGWQAOKEYFDBJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.16
Rot. Bonds1

About 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile

2-(4,6-dimethylpyrimidin-5-yl)acetonitrile (PubChem CID 84763015) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
PubChem CID84763015
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(4,6-dimethylpyrimidin-5-yl)acetonitrile
SMILESCc1ncnc(C)c1CC#N
InChIInChI=1S/C8H9N3/c1-6-8(3-4-9)7(2)11-5-10-6/h5H,3H2,1-2H3
InChIKeyOCGWQAOKEYFDBJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
CID 84767323
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
2-[5-(cyanomethyl)-2,6-dimethyl-3-pyridinyl]acetonitrile
CID 68939181
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698
2-[2,3-bis(cyanomethyl)-5-methylphenyl]acetonitrile
CID 170886230
2-(2,6-dichloro-4-methylphenyl)acetonitrile
CID 119013215
2-(5-chloro-6-ethylpyrimidin-4-yl)acetonitrile
CID 84768646
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
2-(4,6-dimethylpyrimidin-5-yl)acetamide
CID 130683923
2-(2-bromo-3,6-dimethylphenyl)acetonitrile
CID 54544905
2-(5-chloro-6-methylpyrazin-2-yl)acetonitrile
CID 84765349
2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
CID 130786986

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile (CID 84763015) is 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile is Cc1ncnc(C)c1CC#N.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile?
The InChIKey is OCGWQAOKEYFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-8(3-4-9)7(2)11-5-10-6/h5H,3H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile?
2-(4,6-dimethylpyrimidin-5-yl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 84763015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).