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

C15H24N6O — CID 142172619

IUPAC1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1
InChIInChI=1S/C15H24N6O/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/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyZDIMDTNDFRYRCB-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.44
Rot. Bonds5

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

1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142172619) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142172619
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1
InChIInChI=1S/C15H24N6O/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/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19)
InChIKeyZDIMDTNDFRYRCB-UHFFFAOYSA-N
XLogP1.44
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.44
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
4-{5,6-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017021
N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-2,5,6-trimethylpyrimidin-4-amine
CID 72853847
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
1,1,1-trifluoro-3-[(1,3,6-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-2-propanol
CID 70750077
(2S)-1,1,1-trifluoro-3-[(1,3,6-trimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95875070

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 142172619) is 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is COCCNC1CCC(n2nc(C)c3c(N)ncnc32)CC1.
What is the InChIKey of 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ZDIMDTNDFRYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/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/h9,11-12,17H,3-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 304.40 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylamino)cyclohexyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142172619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).