1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C19H21N5O3 — CID 11689171

IUPAC1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H21N5O3/c1-10-14-15(27-19(2,3)26-14)18(25-10)24-17-12(16(20)21-9-22-17)13(23-24)11-7-5-4-6-8-11/h4-10,14-15,18H,1-3H3,(H2,20,21,22)/t10-,14-,15-,18-/m1/s1
InChIKeyVPZJZBRQNOKELA-YVLZZHOMSA-N
MW367.41 g/mol
LogP2.51
Rot. Bonds2

About 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 11689171) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID11689171
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESC[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21
InChIInChI=1S/C19H21N5O3/c1-10-14-15(27-19(2,3)26-14)18(25-10)24-17-12(16(20)21-9-22-17)13(23-24)11-7-5-4-6-8-11/h4-10,14-15,18H,1-3H3,(H2,20,21,22)/t10-,14-,15-,18-/m1/s1
InChIKeyVPZJZBRQNOKELA-YVLZZHOMSA-N
XLogP2.51
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-methyl-5-(4-methyl-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
CID 57308566
[(3aR,4R,6R,6aR)-4-(4-amino-3-methoxypyrazolo[3,4-d]pyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
CID 134500846
7-[(3aR,4S,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-N,5-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 10813093
2-[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]propan-2-ol
CID 134500729
(1S)-1-[1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]ethanol
CID 151352402
1-(1-methylazetidin-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163550222
3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-methylcyclopentan-1-ol
CID 154638063
2-[1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]propan-2-ol
CID 153295276
[(3aR,4R,6R,6aR)-4-(4-amino-3-cyanopyrazolo[3,4-d]pyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl sulfamate
CID 134500563
1-(oxan-3-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 163405666
1-(aminomethyl)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-ol
CID 22346902
6-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]spiro[3.3]heptan-2-one
CID 178016187

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 11689171) is 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is C[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21.
What is the InChIKey of 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VPZJZBRQNOKELA-YVLZZHOMSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-10-14-15(27-19(2,3)26-14)18(25-10)24-17-12(16(20)21-9-22-17)13(23-24)11-7-5-4-6-8-11/h4-10,14-15,18H,1-3H3,(H2,20,21,22)/t10-,14-,15-,18-/m1/s1.
What are the key properties of 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 367.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,4R,6R,6aR)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11689171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).