6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine

C16H19N7O — CID 163354244

IUPAC6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
SMILESCOc1cccc(N2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C16H19N7O/c1-21-11-19-14-15(21)17-10-18-16(14)23-8-6-22(7-9-23)12-4-3-5-13(20-12)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyDIBQLNXMIBMIKV-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.09
Rot. Bonds3

About 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine

6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine (PubChem CID 163354244) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine.

Molecular Properties

Compound Name6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
PubChem CID163354244
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
SMILESCOc1cccc(N2CCN(c3ncnc4c3ncn4C)CC2)n1
InChIInChI=1S/C16H19N7O/c1-21-11-19-14-15(21)17-10-18-16(14)23-8-6-22(7-9-23)12-4-3-5-13(20-12)24-2/h3-5,10-11H,6-9H2,1-2H3
InChIKeyDIBQLNXMIBMIKV-UHFFFAOYSA-N
XLogP1.09
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
CID 154829396
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
2-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]pyridin-3-amine
CID 63590796
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
9-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)purine
CID 165433645
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine?
The IUPAC name of 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine (CID 163354244) is 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine.
What is the SMILES notation for 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine?
The canonical SMILES for 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine is COc1cccc(N2CCN(c3ncnc4c3ncn4C)CC2)n1.
What is the InChIKey of 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine?
The InChIKey is DIBQLNXMIBMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-21-11-19-14-15(21)17-10-18-16(14)23-8-6-22(7-9-23)12-4-3-5-13(20-12)24-2/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine?
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine has a molecular weight of 325.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine is sourced from PubChem (CID 163354244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).