2-benzyl-5-methyl-1-pyrimidin-2-ylindole

C20H17N3 — CID 155679285

IUPAC2-benzyl-5-methyl-1-pyrimidin-2-ylindole
SMILESCc1ccc2c(c1)cc(Cc1ccccc1)n2-c1ncccn1
InChIInChI=1S/C20H17N3/c1-15-8-9-19-17(12-15)14-18(13-16-6-3-2-4-7-16)23(19)20-21-10-5-11-22-20/h2-12,14H,13H2,1H3
InChIKeyUCXRDSITPNPUOF-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.32
Rot. Bonds3

About 2-benzyl-5-methyl-1-pyrimidin-2-ylindole

2-benzyl-5-methyl-1-pyrimidin-2-ylindole (PubChem CID 155679285) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name2-benzyl-5-methyl-1-pyrimidin-2-ylindole
PubChem CID155679285
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-benzyl-5-methyl-1-pyrimidin-2-ylindole
SMILESCc1ccc2c(c1)cc(Cc1ccccc1)n2-c1ncccn1
InChIInChI=1S/C20H17N3/c1-15-8-9-19-17(12-15)14-18(13-16-6-3-2-4-7-16)23(19)20-21-10-5-11-22-20/h2-12,14H,13H2,1H3
InChIKeyUCXRDSITPNPUOF-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1-pyrimidin-2-ylindole?
The IUPAC name of 2-benzyl-5-methyl-1-pyrimidin-2-ylindole (CID 155679285) is 2-benzyl-5-methyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 2-benzyl-5-methyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 2-benzyl-5-methyl-1-pyrimidin-2-ylindole is Cc1ccc2c(c1)cc(Cc1ccccc1)n2-c1ncccn1.
What is the InChIKey of 2-benzyl-5-methyl-1-pyrimidin-2-ylindole?
The InChIKey is UCXRDSITPNPUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-8-9-19-17(12-15)14-18(13-16-6-3-2-4-7-16)23(19)20-21-10-5-11-22-20/h2-12,14H,13H2,1H3.
What are the key properties of 2-benzyl-5-methyl-1-pyrimidin-2-ylindole?
2-benzyl-5-methyl-1-pyrimidin-2-ylindole has a molecular weight of 299.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 155679285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).