3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile

C14H10N4 — CID 102530489

IUPAC3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile
SMILESCc1c(C#N)n(-c2ncccn2)c2ccccc12
InChIInChI=1S/C14H10N4/c1-10-11-5-2-3-6-12(11)18(13(10)9-15)14-16-7-4-8-17-14/h2-8H,1H3
InChIKeyQBENONKXYFWTJL-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.60
Rot. Bonds1

About 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile

3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile (PubChem CID 102530489) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile
PubChem CID102530489
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile
SMILESCc1c(C#N)n(-c2ncccn2)c2ccccc12
InChIInChI=1S/C14H10N4/c1-10-11-5-2-3-6-12(11)18(13(10)9-15)14-16-7-4-8-17-14/h2-8H,1H3
InChIKeyQBENONKXYFWTJL-UHFFFAOYSA-N
XLogP2.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile?
The IUPAC name of 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile (CID 102530489) is 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile.
What is the SMILES notation for 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile?
The canonical SMILES for 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile is Cc1c(C#N)n(-c2ncccn2)c2ccccc12.
What is the InChIKey of 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile?
The InChIKey is QBENONKXYFWTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-11-5-2-3-6-12(11)18(13(10)9-15)14-16-7-4-8-17-14/h2-8H,1H3.
What are the key properties of 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile?
3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile is sourced from PubChem (CID 102530489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).