N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine

C26H41N5 — CID 157185831

IUPACN-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine
SMILESCN(c1ncnc2[nH]ccc12)C1C2CCCC1CCC2.CNC1C2CCCC1CCC2
InChIInChI=1S/C16H22N4.C10H19N/c1-20(14-11-4-2-5-12(14)7-3-6-11)16-13-8-9-17-15(13)18-10-19-16;1-11-10-8-4-2-5-9(10)7-3-6-8/h8-12,14H,2-7H2,1H3,(H,17,18,19);8-11H,2-7H2,1H3
InChIKeyAPCKTWNUFYTFDE-UHFFFAOYSA-N
MW423.65 g/mol
LogP5.54
Rot. Bonds3

About N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine

N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine (PubChem CID 157185831) has the molecular formula C26H41N5 and a molecular weight of 423.65 g/mol. Its IUPAC name is N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine
PubChem CID157185831
Molecular FormulaC26H41N5
Molecular Weight423.65 g/mol
Exact Mass423.34
IUPAC NameN-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine
SMILESCN(c1ncnc2[nH]ccc12)C1C2CCCC1CCC2.CNC1C2CCCC1CCC2
InChIInChI=1S/C16H22N4.C10H19N/c1-20(14-11-4-2-5-12(14)7-3-6-11)16-13-8-9-17-15(13)18-10-19-16;1-11-10-8-4-2-5-9(10)7-3-6-8/h8-12,14H,2-7H2,1H3,(H,17,18,19);8-11H,2-7H2,1H3
InChIKeyAPCKTWNUFYTFDE-UHFFFAOYSA-N
XLogP5.54
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.65
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine with MolForge

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Related Compounds

N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-methyl-N-(2-methylcyclopentyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172970961
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 159036457
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 70208859
N-methyl-N-(4-propan-2-ylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68679684
N,4-dimethyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 68742122
N-[1-[(1S,5R)-6-bicyclo[3.1.0]hexanyl]ethyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146995534
N-(2,4-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 68682476
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
N-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537152
1-[5-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanone
CID 78137425

Frequently Asked Questions

What is the IUPAC name of N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine (CID 157185831) is N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine is CN(c1ncnc2[nH]ccc12)C1C2CCCC1CCC2.CNC1C2CCCC1CCC2.
What is the InChIKey of N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine?
The InChIKey is APCKTWNUFYTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4.C10H19N/c1-20(14-11-4-2-5-12(14)7-3-6-11)16-13-8-9-17-15(13)18-10-19-16;1-11-10-8-4-2-5-9(10)7-3-6-8/h8-12,14H,2-7H2,1H3,(H,17,18,19);8-11H,2-7H2,1H3.
What are the key properties of N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine?
N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine has a molecular weight of 423.65 g/mol, XLogP of 5.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bicyclo[3.3.1]nonanyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-methylbicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 157185831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).