2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine

C13H20N6O2 — CID 19969690

IUPAC2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine
SMILESCOc1nc(N2CCNCC2)c2ncn(C(C)OC)c2n1
InChIInChI=1S/C13H20N6O2/c1-9(20-2)19-8-15-10-11(18-6-4-14-5-7-18)16-13(21-3)17-12(10)19/h8-9,14H,4-7H2,1-3H3
InChIKeyWCSCQULBDLBVAG-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.41
Rot. Bonds4

About 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine

2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine (PubChem CID 19969690) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine.

Molecular Properties

Compound Name2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine
PubChem CID19969690
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine
SMILESCOc1nc(N2CCNCC2)c2ncn(C(C)OC)c2n1
InChIInChI=1S/C13H20N6O2/c1-9(20-2)19-8-15-10-11(18-6-4-14-5-7-18)16-13(21-3)17-12(10)19/h8-9,14H,4-7H2,1-3H3
InChIKeyWCSCQULBDLBVAG-UHFFFAOYSA-N
XLogP0.41
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
2-methoxy-9-(2-methoxyethyl)-6-piperazin-1-ylpurine;dihydrochloride
CID 70047208
2-methoxy-6-piperazin-1-yl-9-prop-2-enylpurine;dihydrochloride
CID 19969749
9-(2,2-difluoropropyl)-2-methoxy-6-piperazin-1-ylpurine;dihydrochloride
CID 19992210
(Z)-but-2-enedioic acid;2-methoxy-9-(methylsulfanylmethyl)-6-piperazin-1-ylpurine
CID 70047049
2-amino-9-(1-methoxyethyl)-1H-purin-6-one
CID 135996340
9-methyl-6-piperazin-1-yl-2-pyrrolidin-1-ylpurine
CID 15016744
2-methoxy-4-piperazin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 117101794
7-bromo-6-chloro-8-fluoro-2-methoxy-4-piperazin-1-ylquinazoline
CID 165123929
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
8-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016725
2-methoxy-6-[[(2-piperazin-1-yl-9-propan-2-ylpurin-6-yl)amino]methyl]phenol
CID 71579158

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine?
The IUPAC name of 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine (CID 19969690) is 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine.
What is the SMILES notation for 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine?
The canonical SMILES for 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine is COc1nc(N2CCNCC2)c2ncn(C(C)OC)c2n1.
What is the InChIKey of 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine?
The InChIKey is WCSCQULBDLBVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-9(20-2)19-8-15-10-11(18-6-4-14-5-7-18)16-13(21-3)17-12(10)19/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine?
2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine has a molecular weight of 292.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-(1-methoxyethyl)-6-piperazin-1-ylpurine is sourced from PubChem (CID 19969690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).