4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine

C20H24N6O — CID 135113526

IUPAC4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-22-16-12-17(25-19(21)24-16)26-9-7-20(8-10-26)18-14(6-11-27-20)13-4-2-3-5-15(13)23-18/h2-5,12,23H,6-11H2,1H3,(H3,21,22,24,25)
InChIKeyJBQYXSKENRBUHM-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.65
Rot. Bonds2

About 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine

4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine (PubChem CID 135113526) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine
PubChem CID135113526
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc(N)n1
InChIInChI=1S/C20H24N6O/c1-22-16-12-17(25-19(21)24-16)26-9-7-20(8-10-26)18-14(6-11-27-20)13-4-2-3-5-15(13)23-18/h2-5,12,23H,6-11H2,1H3,(H3,21,22,24,25)
InChIKeyJBQYXSKENRBUHM-UHFFFAOYSA-N
XLogP2.65
TPSA92.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-morpholin-4-yl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-2-amine
CID 164697920
N-ethyl-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidin-4-amine
CID 135120253
1-methyl-5-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-yl-1,2,4-triazole-3-carboxylic acid
CID 163306903
morpholin-4-yl-(6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrazin-2-yl)methanone
CID 164692746
(2S)-2-(methylamino)-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one;hydrochloride
CID 154915929
spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine];hydrochloride
CID 154919784
(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173
1-[5-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135119539
1'-butylsulfonylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]
CID 135087813
1-methyl-1-(2-oxo-2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)urea
CID 135114267

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine (CID 135113526) is 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine is CNc1cc(N2CCC3(CC2)OCCc2c3[nH]c3ccccc23)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine?
The InChIKey is JBQYXSKENRBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-22-16-12-17(25-19(21)24-16)26-9-7-20(8-10-26)18-14(6-11-27-20)13-4-2-3-5-15(13)23-18/h2-5,12,23H,6-11H2,1H3,(H3,21,22,24,25).
What are the key properties of 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine?
4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine has a molecular weight of 364.45 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 135113526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).