1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile

C11H10N4 — CID 114653466

IUPAC1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
SMILESCc1cc(C)nc(-n2cccc2C#N)n1
InChIInChI=1S/C11H10N4/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(15)7-12/h3-6H,1-2H3
InChIKeyBXLWMHNJGRARKT-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.76
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile

1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile (PubChem CID 114653466) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
PubChem CID114653466
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile
SMILESCc1cc(C)nc(-n2cccc2C#N)n1
InChIInChI=1S/C11H10N4/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(15)7-12/h3-6H,1-2H3
InChIKeyBXLWMHNJGRARKT-UHFFFAOYSA-N
XLogP1.76
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)pyrrole-2-carbonitrile
CID 2797715
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbaldehyde
CID 2772325
1-(2-cyano-4-methylphenyl)pyrrole-2-carbonitrile
CID 107928037
1-(3-chloro-4-methylphenyl)pyrrole-2-carbonitrile
CID 19759418
4-(2-cyanopyrrol-1-yl)-6-methylpyridine-3-carboxylic acid
CID 114650578
1-pyridin-2-ylpyrrole-2-carbonitrile
CID 114653179
1-(4-chloro-1,3-thiazol-2-yl)pyrrole-2-carbonitrile
CID 114653573
methyl 4-(2-cyanopyrrol-1-yl)pyrimidine-2-carboxylate
CID 114653271
1-(1,3-benzothiazol-2-yl)pyrrole-2-carbonitrile
CID 99713917
1-(5-bromo-2-pyridinyl)pyrrole-2-carbonitrile
CID 114652110
1-(2-chloro-4-cyanophenyl)pyrrole-2-carbonitrile
CID 114650817
6-(2-cyanopyrrol-1-yl)pyridine-3-carbonitrile
CID 114650786

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile (CID 114653466) is 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile is Cc1cc(C)nc(-n2cccc2C#N)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile?
The InChIKey is BXLWMHNJGRARKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-6-9(2)14-11(13-8)15-5-3-4-10(15)7-12/h3-6H,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile?
1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114653466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).