1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C18H30N6 — CID 95725455

IUPAC1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](CNc1nc(C(C)C)nc2c1cnn2C)N1CCCCC1
InChIInChI=1S/C18H30N6/c1-5-14(24-9-7-6-8-10-24)11-19-17-15-12-20-23(4)18(15)22-16(21-17)13(2)3/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m0/s1
InChIKeyPWKSYJXEGDFHHG-AWEZNQCLSA-N
MW330.48 g/mol
LogP3.16
Rot. Bonds6

About 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95725455) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95725455
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@@H](CNc1nc(C(C)C)nc2c1cnn2C)N1CCCCC1
InChIInChI=1S/C18H30N6/c1-5-14(24-9-7-6-8-10-24)11-19-17-15-12-20-23(4)18(15)22-16(21-17)13(2)3/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m0/s1
InChIKeyPWKSYJXEGDFHHG-AWEZNQCLSA-N
XLogP3.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42886101
1-methyl-6-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913154
(3S,4S)-4-[[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-3-ol
CID 56907074
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626
1-methyl-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56890560
4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-propylpyrrolidin-2-one
CID 56902346
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913267
[(2S,4R)-1-methyl-4-[(1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-yl]methanol
CID 56912897
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890800

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95725455) is 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC[C@@H](CNc1nc(C(C)C)nc2c1cnn2C)N1CCCCC1.
What is the InChIKey of 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PWKSYJXEGDFHHG-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H30N6/c1-5-14(24-9-7-6-8-10-24)11-19-17-15-12-20-23(4)18(15)22-16(21-17)13(2)3/h12-14H,5-11H2,1-4H3,(H,19,21,22)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 330.48 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-piperidin-1-ylbutyl]-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95725455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).