6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C16H20N8 — CID 56910064

IUPAC6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H20N8/c1-3-13-20-14-12(11-19-22(14)2)15(21-13)23-7-9-24(10-8-23)16-17-5-4-6-18-16/h4-6,11H,3,7-10H2,1-2H3
InChIKeyPYVLPBVDUJMQKB-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.04
Rot. Bonds3

About 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 56910064) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID56910064
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C16H20N8/c1-3-13-20-14-12(11-19-22(14)2)15(21-13)23-7-9-24(10-8-23)16-17-5-4-6-18-16/h4-6,11H,3,7-10H2,1-2H3
InChIKeyPYVLPBVDUJMQKB-UHFFFAOYSA-N
XLogP1.04
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225871
4-(4,4-difluoropiperidin-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71226340
1-Methyl-4-(4-methylpiperazinyl)pyrazolo[5,4-d]pyrimidine
CID 2808976
1-methyl-6-(4-methylpiperazin-1-yl)-4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine
CID 29136870
6-Tert-butyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(3-fluoro-2,5-dihydropyrrol-1-yl)pyrazolo[5,4-d]pyrimidine
CID 85468856
1-[2-(Diethylamino)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227513
4-(1H-imidazol-1-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 71226084
1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
1-(1-methyl-1H-pyrazolo(3,4-d)pyrimidin-4-yl)piperazine
CID 11356415
N-(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N'-pyrimidin-2-ylethane-1,2-diamine
CID 51133933
N,1-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 53623842
N-ethyl-N-({3-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl}methyl)ethanamine
CID 56715338

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 56910064) is 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is PYVLPBVDUJMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-3-13-20-14-12(11-19-22(14)2)15(21-13)23-7-9-24(10-8-23)16-17-5-4-6-18-16/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 324.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56910064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).