N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine

C22H27N5O — CID 135120253

IUPACN-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ncn1
InChIInChI=1S/C22H27N5O/c1-3-26(2)19-14-20(24-15-23-19)27-11-9-22(10-12-27)21-17(8-13-28-22)16-6-4-5-7-18(16)25-21/h4-7,14-15,25H,3,8-13H2,1-2H3
InChIKeyOBNBZWGQXBIVJH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds3

About N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine

N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine (PubChem CID 135120253) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine
PubChem CID135120253
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine
SMILESCCN(C)c1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ncn1
InChIInChI=1S/C22H27N5O/c1-3-26(2)19-14-20(24-15-23-19)27-11-9-22(10-12-27)21-17(8-13-28-22)16-6-4-5-7-18(16)25-21/h4-7,14-15,25H,3,8-13H2,1-2H3
InChIKeyOBNBZWGQXBIVJH-UHFFFAOYSA-N
XLogP3.48
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine (CID 135120253) is N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine is CCN(C)c1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)ncn1.
What is the InChIKey of N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine?
The InChIKey is OBNBZWGQXBIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-26(2)19-14-20(24-15-23-19)27-11-9-22(10-12-27)21-17(8-13-28-22)16-6-4-5-7-18(16)25-21/h4-7,14-15,25H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine?
N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine has a molecular weight of 377.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine is sourced from PubChem (CID 135120253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).