1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C11H16N6O — CID 175893683

IUPAC1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC[C@H]1C[C@H](n2ncc3c(N)ncnc32)CN1
InChIInChI=1S/C11H16N6O/c1-18-5-7-2-8(3-13-7)17-11-9(4-16-17)10(12)14-6-15-11/h4,6-8,13H,2-3,5H2,1H3,(H2,12,14,15)/t7-,8+/m1/s1
InChIKeyPPNTYKFGEOXPFB-SFYZADRCSA-N
MW248.29 g/mol
LogP-0.04
Rot. Bonds3

About 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 175893683) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID175893683
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOC[C@H]1C[C@H](n2ncc3c(N)ncnc32)CN1
InChIInChI=1S/C11H16N6O/c1-18-5-7-2-8(3-13-7)17-11-9(4-16-17)10(12)14-6-15-11/h4,6-8,13H,2-3,5H2,1H3,(H2,12,14,15)/t7-,8+/m1/s1
InChIKeyPPNTYKFGEOXPFB-SFYZADRCSA-N
XLogP-0.04
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-iodo-1-[(5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 162382338
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-3-[2-(3-methylbenzimidazol-5-yl)ethynyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 162382306
[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]methanol
CID 175935264
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-3-[2-(3-methylbenzimidazol-5-yl)ethynyl]pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 162382305
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 141059458
3-[2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)ethynyl]-1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 162382101
(1S,2R,3S,4R)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1,2,3-triol
CID 10243872
(2R)-3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)cyclobutan-1-ol
CID 59796188
1-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 142657511
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
(1R,4S)-4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 10584870
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)cyclopent-2-en-1-ol
CID 46741392

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 175893683) is 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is COC[C@H]1C[C@H](n2ncc3c(N)ncnc32)CN1.
What is the InChIKey of 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PPNTYKFGEOXPFB-SFYZADRCSA-N. The full InChI is InChI=1S/C11H16N6O/c1-18-5-7-2-8(3-13-7)17-11-9(4-16-17)10(12)14-6-15-11/h4,6-8,13H,2-3,5H2,1H3,(H2,12,14,15)/t7-,8+/m1/s1.
What are the key properties of 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-5-(methoxymethyl)pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 175893683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).