(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C17H26N6O — CID 166397967

IUPAC(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCC1CCN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)c3cnn(C)c3n2)C1
InChIInChI=1S/C17H26N6O/c1-11-5-6-22(8-11)17-19-15-14(7-18-21(15)4)16(20-17)23-9-12(2)24-13(3)10-23/h7,11-13H,5-6,8-10H2,1-4H3/t11?,12-,13+
InChIKeyKNBHEQSHYKZFIB-YHWZYXNKSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds2

About (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine

(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 166397967) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID166397967
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCC1CCN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)c3cnn(C)c3n2)C1
InChIInChI=1S/C17H26N6O/c1-11-5-6-22(8-11)17-19-15-14(7-18-21(15)4)16(20-17)23-9-12(2)24-13(3)10-23/h7,11-13H,5-6,8-10H2,1-4H3/t11?,12-,13+
InChIKeyKNBHEQSHYKZFIB-YHWZYXNKSA-N
XLogP1.82
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,6R)-4-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 56899248
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
2-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 8547617
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
CID 8548589
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 43845722
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795404
N-benzyl-1-methyl-6-(4-methylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8547227
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
CID 146059668

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 166397967) is (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is CC1CCN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)c3cnn(C)c3n2)C1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is KNBHEQSHYKZFIB-YHWZYXNKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-11-5-6-22(8-11)17-19-15-14(7-18-21(15)4)16(20-17)23-9-12(2)24-13(3)10-23/h7,11-13H,5-6,8-10H2,1-4H3/t11?,12-,13+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
(2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 330.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[1-methyl-6-(3-methylpyrrolidin-1-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166397967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).