2-ethenyl-3-methyl-1-pyrimidin-2-ylindole

C15H13N3 — CID 134960562

IUPAC2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
SMILESC=Cc1c(C)c2ccccc2n1-c1ncccn1
InChIInChI=1S/C15H13N3/c1-3-13-11(2)12-7-4-5-8-14(12)18(13)15-16-9-6-10-17-15/h3-10H,1H2,2H3
InChIKeyUTXWFAMLUQJGDV-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.37
Rot. Bonds2

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

2-ethenyl-3-methyl-1-pyrimidin-2-ylindole (PubChem CID 134960562) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole.

Molecular Properties

Compound Name2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
PubChem CID134960562
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-ethenyl-3-methyl-1-pyrimidin-2-ylindole
SMILESC=Cc1c(C)c2ccccc2n1-c1ncccn1
InChIInChI=1S/C15H13N3/c1-3-13-11(2)12-7-4-5-8-14(12)18(13)15-16-9-6-10-17-15/h3-10H,1H2,2H3
InChIKeyUTXWFAMLUQJGDV-UHFFFAOYSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pyrimidin-2-ylindole-2-carbonitrile
CID 102530489
9-(4,6-diphenylpyrimidin-2-yl)-3-(2-ethenyl-3-methyl-1-phenylindol-6-yl)carbazole
CID 146280194
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
9-[6'-(2-ethenyl-3-methylindol-1-yl)-2,2'-spirobi[3H-1-benzofuran]-6-yl]carbazole
CID 143096537
2-[2,3-bis(ethenyl)indol-1-yl]-7-ethenyl-6-methylfuro[3,2-d]pyrimidine
CID 167090774
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
2-ethenyl-5-methyl-1-pyrimidin-2-ylindole
CID 155679286
2,4-bis(4-methylphenyl)-9-pyrimidin-2-ylcarbazole
CID 122395291
2-[(E)-3-methylbut-1-enyl]-1-pyrimidin-2-ylquinolin-4-one
CID 166443866
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
CID 121298662

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole?
The IUPAC name of 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole (CID 134960562) is 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole.
What is the SMILES notation for 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole?
The canonical SMILES for 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole is C=Cc1c(C)c2ccccc2n1-c1ncccn1.
What is the InChIKey of 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole?
The InChIKey is UTXWFAMLUQJGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-3-13-11(2)12-7-4-5-8-14(12)18(13)15-16-9-6-10-17-15/h3-10H,1H2,2H3.
What are the key properties of 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole?
2-ethenyl-3-methyl-1-pyrimidin-2-ylindole has a molecular weight of 235.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-methyl-1-pyrimidin-2-ylindole is sourced from PubChem (CID 134960562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).