4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

C21H22N8 — CID 1034859

IUPAC4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)n1
InChIInChI=1S/C21H22N8/c1-15-12-16(2)26-21(25-15)28-10-8-27(9-11-28)19-18-13-24-29(20(18)23-14-22-19)17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyOQHHDYQKFCOFJI-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.55
Rot. Bonds3

About 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 1034859) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID1034859
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)n1
InChIInChI=1S/C21H22N8/c1-15-12-16(2)26-21(25-15)28-10-8-27(9-11-28)19-18-13-24-29(20(18)23-14-22-19)17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3
InChIKeyOQHHDYQKFCOFJI-UHFFFAOYSA-N
XLogP2.55
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine (CID 1034859) is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is Cc1cc(C)nc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)n1.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OQHHDYQKFCOFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-15-12-16(2)26-21(25-15)28-10-8-27(9-11-28)19-18-13-24-29(20(18)23-14-22-19)17-6-4-3-5-7-17/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine?
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 1034859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).