1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine

C11H17N7 — CID 71004312

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN1CCN(c2nc(N)nc3c2cnn3C)CC1
InChIInChI=1S/C11H17N7/c1-16-3-5-18(6-4-16)10-8-7-13-17(2)9(8)14-11(12)15-10/h7H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeyZEAUFLWRKHGMAC-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.30
Rot. Bonds1

About 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine

1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 71004312) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID71004312
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCN1CCN(c2nc(N)nc3c2cnn3C)CC1
InChIInChI=1S/C11H17N7/c1-16-3-5-18(6-4-16)10-8-7-13-17(2)9(8)14-11(12)15-10/h7H,3-6H2,1-2H3,(H2,12,14,15)
InChIKeyZEAUFLWRKHGMAC-UHFFFAOYSA-N
XLogP-0.30
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine (CID 71004312) is 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is CN1CCN(c2nc(N)nc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ZEAUFLWRKHGMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-16-3-5-18(6-4-16)10-8-7-13-17(2)9(8)14-11(12)15-10/h7H,3-6H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 247.31 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 71004312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).