5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile

C15H20Br2N4Si — CID 141181683

IUPAC5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile
SMILESCC1CCCN1c1nc(C#N)ncc1/C(Br)=C(\Br)[Si](C)(C)C
InChIInChI=1S/C15H20Br2N4Si/c1-10-6-5-7-21(10)15-11(9-19-12(8-18)20-15)13(16)14(17)22(2,3)4/h9-10H,5-7H2,1-4H3/b14-13-
InChIKeyJJEIXJIALBUASH-YPKPFQOOSA-N
MW444.25 g/mol
LogP4.67
Rot. Bonds3

About 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile

5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile (PubChem CID 141181683) has the molecular formula C15H20Br2N4Si and a molecular weight of 444.25 g/mol. Its IUPAC name is 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile
PubChem CID141181683
Molecular FormulaC15H20Br2N4Si
Molecular Weight444.25 g/mol
Exact Mass441.98
IUPAC Name5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile
SMILESCC1CCCN1c1nc(C#N)ncc1/C(Br)=C(\Br)[Si](C)(C)C
InChIInChI=1S/C15H20Br2N4Si/c1-10-6-5-7-21(10)15-11(9-19-12(8-18)20-15)13(16)14(17)22(2,3)4/h9-10H,5-7H2,1-4H3/b14-13-
InChIKeyJJEIXJIALBUASH-YPKPFQOOSA-N
XLogP4.67
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(1,2-dibromo-2-chloroethenyl)-6-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile
CID 90819852
3-bromo-5-methyl-2-(2-methylpyrrolidin-1-yl)pyridine
CID 105367577
N,N,2-trimethyl-7-(2-methylpyrrolidin-1-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 175758742
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
2-[(2R)-2-methylpyrrolidin-1-yl]-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid
CID 169247773
3-bromo-2-(2-methylpyrrolidin-1-yl)pyridine
CID 61373542
2-(2-methylpyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62711881
5-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyridin-3-amine
CID 94452919
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
N-[[2-methyl-4-(2-methylpyrrolidin-1-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114215748
5-bromo-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 167919180
6-(2-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64589835

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile (CID 141181683) is 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile is CC1CCCN1c1nc(C#N)ncc1/C(Br)=C(\Br)[Si](C)(C)C.
What is the InChIKey of 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile?
The InChIKey is JJEIXJIALBUASH-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H20Br2N4Si/c1-10-6-5-7-21(10)15-11(9-19-12(8-18)20-15)13(16)14(17)22(2,3)4/h9-10H,5-7H2,1-4H3/b14-13-.
What are the key properties of 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile?
5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile has a molecular weight of 444.25 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1,2-dibromo-2-trimethylsilylethenyl]-4-(2-methylpyrrolidin-1-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 141181683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).