1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C12H17N5O — CID 167512635

IUPAC1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2(C)COCC2C)c2ncnc(N)c12
InChIInChI=1S/C12H17N5O/c1-7-4-18-5-12(7,3)17-11-9(8(2)16-17)10(13)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyJUDVLDIWXODGJD-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.10
Rot. Bonds1

About 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 167512635) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID167512635
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2(C)COCC2C)c2ncnc(N)c12
InChIInChI=1S/C12H17N5O/c1-7-4-18-5-12(7,3)17-11-9(8(2)16-17)10(13)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,13,14,15)
InChIKeyJUDVLDIWXODGJD-UHFFFAOYSA-N
XLogP1.10
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 145130157
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611389
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
(2S,3S,4S)-2-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 57110025
6-bromo-7-methyl-5-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 169213181
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327
3-[(4-methyl-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)oxetan-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 163414870

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 167512635) is 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C2(C)COCC2C)c2ncnc(N)c12.
What is the InChIKey of 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JUDVLDIWXODGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-4-18-5-12(7,3)17-11-9(8(2)16-17)10(13)14-6-15-11/h6-7H,4-5H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 167512635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).