ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

C10H17N5O — CID 153343290

IUPACethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.CNc1ncnc2c1c(OC)nn2C
InChIInChI=1S/C8H11N5O.C2H6/c1-9-6-5-7(11-4-10-6)13(2)12-8(5)14-3;1-2/h4H,1-3H3,(H,9,10,11);1-2H3
InChIKeyWULQIYILAPWFRL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.44
Rot. Bonds2

About ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine

ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 153343290) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID153343290
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Nameethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.CNc1ncnc2c1c(OC)nn2C
InChIInChI=1S/C8H11N5O.C2H6/c1-9-6-5-7(11-4-10-6)13(2)12-8(5)14-3;1-2/h4H,1-3H3,(H,9,10,11);1-2H3
InChIKeyWULQIYILAPWFRL-UHFFFAOYSA-N
XLogP1.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-1-methyl-1H-pyrazolo[3,4-D]pyrimidine
CID 219763
3-methoxy-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 596791
4,6-Diethoxy-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
CID 227493
4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 221096
1-tert-butyl-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 122164253
4-methoxy-2-methyl-2H-pyrazolo[3,4-d]pyrimidine
CID 21587659
4-Methoxy-1-pent-4-ynylpyrazolo[5,4-d]pyrimidin-6-amine
CID 132389519
1-(2,2-Difluoroethyl)-4-methoxy-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 168209614
1-(2,2-Difluoroethyl)-4-methoxy-6-methylpyrazolo[5,4-d]pyrimidine
CID 168210032
3-iodo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine
CID 10540384
1-Ethyl-4-ethoxypyrazolo[3,4-d]pyrimidine
CID 14188902
4-Methoxy-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 227094

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine (CID 153343290) is ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is CC.CNc1ncnc2c1c(OC)nn2C.
What is the InChIKey of ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WULQIYILAPWFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O.C2H6/c1-9-6-5-7(11-4-10-6)13(2)12-8(5)14-3;1-2/h4H,1-3H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine?
ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153343290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).