N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

C18H27N7 — CID 70755138

IUPACN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2c(C)nn(CCC)c2C)c2cnn(C)c2n1
InChIInChI=1S/C18H27N7/c1-6-8-16-21-17(15-11-20-24(5)18(15)22-16)19-10-14-12(3)23-25(9-7-2)13(14)4/h11H,6-10H2,1-5H3,(H,19,21,22)
InChIKeyXDUJXSWFJYHGMX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.15
Rot. Bonds7

About N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70755138) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70755138
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC NameN-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCc1nc(NCc2c(C)nn(CCC)c2C)c2cnn(C)c2n1
InChIInChI=1S/C18H27N7/c1-6-8-16-21-17(15-11-20-24(5)18(15)22-16)19-10-14-12(3)23-25(9-7-2)13(14)4/h11H,6-10H2,1-5H3,(H,19,21,22)
InChIKeyXDUJXSWFJYHGMX-UHFFFAOYSA-N
XLogP3.15
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70755138) is N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCc1nc(NCc2c(C)nn(CCC)c2C)c2cnn(C)c2n1.
What is the InChIKey of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XDUJXSWFJYHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-6-8-16-21-17(15-11-20-24(5)18(15)22-16)19-10-14-12(3)23-25(9-7-2)13(14)4/h11H,6-10H2,1-5H3,(H,19,21,22).
What are the key properties of N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine?
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70755138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).