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

C17H21N7 — CID 30859379

IUPACN-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H21N7/c1-12-3-5-13(6-4-12)19-15-14-11-18-22-16(14)21-17(20-15)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyUGXNIUBEZMSHMA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.16
Rot. Bonds3

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

N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 30859379) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID30859379
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)cc1
InChIInChI=1S/C17H21N7/c1-12-3-5-13(6-4-12)19-15-14-11-18-22-16(14)21-17(20-15)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyUGXNIUBEZMSHMA-UHFFFAOYSA-N
XLogP2.16
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 30859379) is N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UGXNIUBEZMSHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-3-5-13(6-4-12)19-15-14-11-18-22-16(14)21-17(20-15)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 30859379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).