8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

C20H24N4O2 — CID 112897459

IUPAC8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1Cc2ccccc2N1c1nccc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-15-14-16-4-2-3-5-17(16)24(15)19-21-9-6-18(22-19)23-10-7-20(8-11-23)25-12-13-26-20/h2-6,9,15H,7-8,10-14H2,1H3
InChIKeyZFRIQRUJWSQQSB-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.90
Rot. Bonds2

About 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112897459) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112897459
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC1Cc2ccccc2N1c1nccc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-15-14-16-4-2-3-5-17(16)24(15)19-21-9-6-18(22-19)23-10-7-20(8-11-23)25-12-13-26-20/h2-6,9,15H,7-8,10-14H2,1H3
InChIKeyZFRIQRUJWSQQSB-UHFFFAOYSA-N
XLogP2.90
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

2-methyl-1-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112898809
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
2-methyl-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112899050
8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112894346
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methyl-2,3-dihydroindole
CID 66493775
4-[3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-yl]morpholine
CID 112944196
[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-5-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109261707
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882
N-tert-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-2-amine
CID 112897374
2-(2-methyl-2,3-dihydroindol-1-yl)-N,N-dipropylpyrimidin-4-amine
CID 112901248
2-methyl-1-[4-(4-nitrophenyl)pyrimidin-2-yl]-2,3-dihydroindole
CID 66493749
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 112897459) is 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is CC1Cc2ccccc2N1c1nccc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ZFRIQRUJWSQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-14-16-4-2-3-5-17(16)24(15)19-21-9-6-18(22-19)23-10-7-20(8-11-23)25-12-13-26-20/h2-6,9,15H,7-8,10-14H2,1H3.
What are the key properties of 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 352.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112897459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).