4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine

C11H16N4 — CID 69096109

IUPAC4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCCCCc1nc(C)c2cn[nH]c2n1
InChIInChI=1S/C11H16N4/c1-3-4-5-6-10-13-8(2)9-7-12-15-11(9)14-10/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyGSCILAHMQHFVSZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.39
Rot. Bonds4

About 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine

4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine (PubChem CID 69096109) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine
PubChem CID69096109
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine
SMILESCCCCCc1nc(C)c2cn[nH]c2n1
InChIInChI=1S/C11H16N4/c1-3-4-5-6-10-13-8(2)9-7-12-15-11(9)14-10/h7H,3-6H2,1-2H3,(H,12,13,14,15)
InChIKeyGSCILAHMQHFVSZ-UHFFFAOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-diethyl-1H-pyrazolo[3,4-d]pyrimidine
CID 70667644
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
2-methyl-4,6-di(undecyl)-1,3,5-triazine
CID 66935894
2-methyl-4,6-di(octacosyl)-1,3,5-triazine
CID 66935655
3-hexadecyl-5,6-dimethyl-1,2,4-triazine
CID 134998766
5-dodecyl-1H-indazole
CID 67799721
4,5-dipentyl-1H-pyrazole
CID 66669086
2,4-dibutyl-6-propyl-1,3,5-triazine
CID 59908452
4,6-dimethyl-2-propylpyrimidin-5-ol
CID 13173530
2,4-didecyl-6-ethyl-1,3,5-triazine
CID 123764095

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine (CID 69096109) is 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine is CCCCCc1nc(C)c2cn[nH]c2n1.
What is the InChIKey of 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is GSCILAHMQHFVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-4-5-6-10-13-8(2)9-7-12-15-11(9)14-10/h7H,3-6H2,1-2H3,(H,12,13,14,15).
What are the key properties of 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine?
4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pentyl-1H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 69096109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).