ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C13H21N5O — CID 145130157

IUPACethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1nn(CC2(C)COC2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O.C2H6/c1-7-8-9(12)13-6-14-10(8)16(15-7)3-11(2)4-17-5-11;1-2/h6H,3-5H2,1-2H3,(H2,12,13,14);1-2H3
InChIKeyPSNHKWVKSZTXJQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds2

About ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 145130157) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID145130157
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Nameethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1nn(CC2(C)COC2)c2ncnc(N)c12
InChIInChI=1S/C11H15N5O.C2H6/c1-7-8-9(12)13-6-14-10(8)16(15-7)3-11(2)4-17-5-11;1-2/h6H,3-5H2,1-2H3,(H2,12,13,14);1-2H3
InChIKeyPSNHKWVKSZTXJQ-UHFFFAOYSA-N
XLogP1.78
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3-methyloxetan-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 141429263
1-(3,4-dimethyloxolan-3-yl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167512635
3-[4-[3-fluoro-5-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenoxy]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695449
5-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-amine
CID 69281648
2-[(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;ethane
CID 145130128
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine;ethane
CID 145130130
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327
3-[(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]-8-methyl-2-(2-methylphenyl)-3,4-dihydroisoquinolin-1-one;ethane
CID 143832737
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 ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 145130157) is ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC.Cc1nn(CC2(C)COC2)c2ncnc(N)c12.
What is the InChIKey of ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PSNHKWVKSZTXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O.C2H6/c1-7-8-9(12)13-6-14-10(8)16(15-7)3-11(2)4-17-5-11;1-2/h6H,3-5H2,1-2H3,(H2,12,13,14);1-2H3.
What are the key properties of ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 145130157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).