4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole

C16H17N3O — CID 83174058

IUPAC4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ncccn1
InChIInChI=1S/C16H17N3O/c1-12(2)20-15-6-3-5-14-13(15)7-10-19(14)11-16-17-8-4-9-18-16/h3-10,12H,11H2,1-2H3
InChIKeyFXEKEBMCCNZLSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.27
Rot. Bonds4

About 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole

4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole (PubChem CID 83174058) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
PubChem CID83174058
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2Cc1ncccn1
InChIInChI=1S/C16H17N3O/c1-12(2)20-15-6-3-5-14-13(15)7-10-19(14)11-16-17-8-4-9-18-16/h3-10,12H,11H2,1-2H3
InChIKeyFXEKEBMCCNZLSQ-UHFFFAOYSA-N
XLogP3.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83163053
5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83165463
4-methyl-1-(pyrimidin-2-ylmethyl)indole
CID 116620137
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole?
The IUPAC name of 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole (CID 83174058) is 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole.
What is the SMILES notation for 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole?
The canonical SMILES for 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole is CC(C)Oc1cccc2c1ccn2Cc1ncccn1.
What is the InChIKey of 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole?
The InChIKey is FXEKEBMCCNZLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(2)20-15-6-3-5-14-13(15)7-10-19(14)11-16-17-8-4-9-18-16/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole?
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole has a molecular weight of 267.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole is sourced from PubChem (CID 83174058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).