4-methyl-1-(pyrimidin-2-ylmethyl)indole

C14H13N3 — CID 116620137

IUPAC4-methyl-1-(pyrimidin-2-ylmethyl)indole
SMILESCc1cccc2c1ccn2Cc1ncccn1
InChIInChI=1S/C14H13N3/c1-11-4-2-5-13-12(11)6-9-17(13)10-14-15-7-3-8-16-14/h2-9H,10H2,1H3
InChIKeyXDBYIQKDTYWVRR-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds2

About 4-methyl-1-(pyrimidin-2-ylmethyl)indole

4-methyl-1-(pyrimidin-2-ylmethyl)indole (PubChem CID 116620137) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-1-(pyrimidin-2-ylmethyl)indole.

Molecular Properties

Compound Name4-methyl-1-(pyrimidin-2-ylmethyl)indole
PubChem CID116620137
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-methyl-1-(pyrimidin-2-ylmethyl)indole
SMILESCc1cccc2c1ccn2Cc1ncccn1
InChIInChI=1S/C14H13N3/c1-11-4-2-5-13-12(11)6-9-17(13)10-14-15-7-3-8-16-14/h2-9H,10H2,1H3
InChIKeyXDBYIQKDTYWVRR-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1954U89
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2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
CR-4056
CID 24898732
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
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CID 118577045

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrimidin-2-ylmethyl)indole?
The IUPAC name of 4-methyl-1-(pyrimidin-2-ylmethyl)indole (CID 116620137) is 4-methyl-1-(pyrimidin-2-ylmethyl)indole.
What is the SMILES notation for 4-methyl-1-(pyrimidin-2-ylmethyl)indole?
The canonical SMILES for 4-methyl-1-(pyrimidin-2-ylmethyl)indole is Cc1cccc2c1ccn2Cc1ncccn1.
What is the InChIKey of 4-methyl-1-(pyrimidin-2-ylmethyl)indole?
The InChIKey is XDBYIQKDTYWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-4-2-5-13-12(11)6-9-17(13)10-14-15-7-3-8-16-14/h2-9H,10H2,1H3.
What are the key properties of 4-methyl-1-(pyrimidin-2-ylmethyl)indole?
4-methyl-1-(pyrimidin-2-ylmethyl)indole has a molecular weight of 223.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrimidin-2-ylmethyl)indole is sourced from PubChem (CID 116620137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).