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

C14H23N7 — CID 50795322

IUPAC1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCN(C)CC2)nc2c1cnn2C
InChIInChI=1S/C14H23N7/c1-4-5-15-12-11-10-16-20(3)13(11)18-14(17-12)21-8-6-19(2)7-9-21/h10H,4-9H2,1-3H3,(H,15,17,18)
InChIKeyVYGRYFPNXGOGSS-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.94
Rot. Bonds4

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

1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 50795322) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID50795322
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCNc1nc(N2CCN(C)CC2)nc2c1cnn2C
InChIInChI=1S/C14H23N7/c1-4-5-15-12-11-10-16-20(3)13(11)18-14(17-12)21-8-6-19(2)7-9-21/h10H,4-9H2,1-3H3,(H,15,17,18)
InChIKeyVYGRYFPNXGOGSS-UHFFFAOYSA-N
XLogP0.94
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine (CID 50795322) is 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is CCCNc1nc(N2CCN(C)CC2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VYGRYFPNXGOGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-4-5-15-12-11-10-16-20(3)13(11)18-14(17-12)21-8-6-19(2)7-9-21/h10H,4-9H2,1-3H3,(H,15,17,18).
What are the key properties of 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 289.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 50795322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).