ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H30N6O — CID 142172634

IUPACethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.COCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1
InChIInChI=1S/C15H24N6O.C2H6/c1-10-13-14(16)18-9-19-15(13)21(20-10)12-5-3-11(4-6-12)17-7-8-22-2;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19);1-2H3
InChIKeyJBDOFIDCDUGTDB-UHFFFAOYSA-N
MW334.47 g/mol
LogP2.46
Rot. Bonds5

About ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142172634) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142172634
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Nameethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.COCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1
InChIInChI=1S/C15H24N6O.C2H6/c1-10-13-14(16)18-9-19-15(13)21(20-10)12-5-3-11(4-6-12)17-7-8-22-2;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19);1-2H3
InChIKeyJBDOFIDCDUGTDB-UHFFFAOYSA-N
XLogP2.46
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
1-[(1,3-Dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 70710071
1,3,6-trimethyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 70722674
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751994
1-(1-azepanyl)-3-[(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-propanol
CID 70765533
1,3,6-trimethyl-N-[2-(tetrahydro-3-furanyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70708152
1-Cyclohexyl-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 139296036
2-(4,6-Diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 338653
N-cyclohexyl-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1429532
(2S)-3-cyclohexyl-2-[(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propanol
CID 70754716
5-Methyl-6-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 14097492
cis-3-Methyl-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 20817048

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 142172634) is ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is CC.COCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1.
What is the InChIKey of ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JBDOFIDCDUGTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.C2H6/c1-10-13-14(16)18-9-19-15(13)21(20-10)12-5-3-11(4-6-12)17-7-8-22-2;1-2/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19);1-2H3.
What are the key properties of ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142172634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).