1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine

C19H24N6 — CID 56912583

IUPAC1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2nc(CCc3ccccc3)nc3c2cnn3C)CC1
InChIInChI=1S/C19H24N6/c1-23-10-12-25(13-11-23)19-16-14-20-24(2)18(16)21-17(22-19)9-8-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyRVWNMDOBRQLARV-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.90
Rot. Bonds4

About 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine

1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 56912583) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
PubChem CID56912583
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
SMILESCN1CCN(c2nc(CCc3ccccc3)nc3c2cnn3C)CC1
InChIInChI=1S/C19H24N6/c1-23-10-12-25(13-11-23)19-16-14-20-24(2)18(16)21-17(22-19)9-8-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyRVWNMDOBRQLARV-UHFFFAOYSA-N
XLogP1.90
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine (CID 56912583) is 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine is CN1CCN(c2nc(CCc3ccccc3)nc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is RVWNMDOBRQLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-23-10-12-25(13-11-23)19-16-14-20-24(2)18(16)21-17(22-19)9-8-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine?
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56912583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).