1-(pyrimidin-2-ylmethyl)indole

C13H11N3 — CID 63810960

IUPAC1-(pyrimidin-2-ylmethyl)indole
SMILESc1cnc(Cn2ccc3ccccc32)nc1
InChIInChI=1S/C13H11N3/c1-2-5-12-11(4-1)6-9-16(12)10-13-14-7-3-8-15-13/h1-9H,10H2
InChIKeyGCXRTSMPPNZYQS-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.48
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)indole

1-(pyrimidin-2-ylmethyl)indole (PubChem CID 63810960) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)indole.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)indole
PubChem CID63810960
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(pyrimidin-2-ylmethyl)indole
SMILESc1cnc(Cn2ccc3ccccc32)nc1
InChIInChI=1S/C13H11N3/c1-2-5-12-11(4-1)6-9-16(12)10-13-14-7-3-8-15-13/h1-9H,10H2
InChIKeyGCXRTSMPPNZYQS-UHFFFAOYSA-N
XLogP2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)indole?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)indole (CID 63810960) is 1-(pyrimidin-2-ylmethyl)indole.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)indole?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)indole is c1cnc(Cn2ccc3ccccc32)nc1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)indole?
The InChIKey is GCXRTSMPPNZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-12-11(4-1)6-9-16(12)10-13-14-7-3-8-15-13/h1-9H,10H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)indole?
1-(pyrimidin-2-ylmethyl)indole has a molecular weight of 209.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)indole is sourced from PubChem (CID 63810960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).