2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C15H22N8 — CID 59722514

IUPAC2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCN(C)CC3)nc3c2CNC3)n[nH]1
InChIInChI=1S/C15H22N8/c1-10-7-13(21-20-10)18-14-11-8-16-9-12(11)17-15(19-14)23-5-3-22(2)4-6-23/h7,16H,3-6,8-9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyVKPOCGBXJWSJCS-UHFFFAOYSA-N
MW314.40 g/mol
LogP0.61
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 59722514) has the molecular formula C15H22N8 and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID59722514
Molecular FormulaC15H22N8
Molecular Weight314.40 g/mol
Exact Mass314.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(N3CCN(C)CC3)nc3c2CNC3)n[nH]1
InChIInChI=1S/C15H22N8/c1-10-7-13(21-20-10)18-14-11-8-16-9-12(11)17-15(19-14)23-5-3-22(2)4-6-23/h7,16H,3-6,8-9H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyVKPOCGBXJWSJCS-UHFFFAOYSA-N
XLogP0.61
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 59722514) is 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cc1cc(Nc2nc(N3CCN(C)CC3)nc3c2CNC3)n[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is VKPOCGBXJWSJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8/c1-10-7-13(21-20-10)18-14-11-8-16-9-12(11)17-15(19-14)23-5-3-22(2)4-6-23/h7,16H,3-6,8-9H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 314.40 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 59722514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).