3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C9H13N5O — CID 163729731

IUPAC3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C9H13N5O/c1-5(2)14-8-6(9(13-14)15-3)7(10)11-4-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyKYOSFIQLHDBZPY-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.00
Rot. Bonds2

About 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 163729731) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID163729731
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1nn(C(C)C)c2ncnc(N)c12
InChIInChI=1S/C9H13N5O/c1-5(2)14-8-6(9(13-14)15-3)7(10)11-4-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyKYOSFIQLHDBZPY-UHFFFAOYSA-N
XLogP1.00
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.00
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
4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11252197
1-tert-butyl-6-chloro-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 122164253
3-(4-Methoxy-pyrazolo[3,4-d]pyrimidin-1-yl)-propionic acid
CID 21587660
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
1-(2,2-Difluoroethyl)-4-ethoxy-6-ethylpyrazolo[5,4-d]pyrimidine
CID 169698550

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 163729731) is 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is COc1nn(C(C)C)c2ncnc(N)c12.
What is the InChIKey of 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KYOSFIQLHDBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(2)14-8-6(9(13-14)15-3)7(10)11-4-12-8/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 207.24 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163729731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).