2-methoxy-6-methyl-9-(oxan-2-yl)purine

C12H16N4O2 — CID 133059804

IUPAC2-methoxy-6-methyl-9-(oxan-2-yl)purine
SMILESCOc1nc(C)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C12H16N4O2/c1-8-10-11(15-12(14-8)17-2)16(7-13-10)9-5-3-4-6-18-9/h7,9H,3-6H2,1-2H3
InChIKeyBCCDJRVQVAPNOH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.84
Rot. Bonds2

About 2-methoxy-6-methyl-9-(oxan-2-yl)purine

2-methoxy-6-methyl-9-(oxan-2-yl)purine (PubChem CID 133059804) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxy-6-methyl-9-(oxan-2-yl)purine.

Molecular Properties

Compound Name2-methoxy-6-methyl-9-(oxan-2-yl)purine
PubChem CID133059804
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methoxy-6-methyl-9-(oxan-2-yl)purine
SMILESCOc1nc(C)c2ncn(C3CCCCO3)c2n1
InChIInChI=1S/C12H16N4O2/c1-8-10-11(15-12(14-8)17-2)16(7-13-10)9-5-3-4-6-18-9/h7,9H,3-6H2,1-2H3
InChIKeyBCCDJRVQVAPNOH-UHFFFAOYSA-N
XLogP1.84
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-9-(oxan-2-yl)-2-propan-2-yloxypurin-6-amine
CID 135129621
2-butoxy-N-methyl-9-(oxan-2-yl)purin-6-amine
CID 129302030
2,6-difluoro-9-(oxan-2-yl)purine
CID 155436461
2-(4-methoxyphenyl)-9-(oxan-2-yl)-6-phenylpurine
CID 11610730
[6-ethoxy-9-(oxan-2-yl)purin-2-yl]urea
CID 102100714
6-(2-methoxyanilino)-9-(oxan-2-yl)-1H-purine-2-thione
CID 146574838
2-bromo-N-(2,3-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574607
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
N-(2,3-dimethoxyphenyl)-2-fluoro-9-(oxepan-2-yl)purin-6-amine
CID 162440937
N-(2-bromo-3-methoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575136
3-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]-2-methoxyphenol
CID 146574778
9-(oxolan-2-yl)-2,6-di(propan-2-yl)purine
CID 176926702

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-9-(oxan-2-yl)purine?
The IUPAC name of 2-methoxy-6-methyl-9-(oxan-2-yl)purine (CID 133059804) is 2-methoxy-6-methyl-9-(oxan-2-yl)purine.
What is the SMILES notation for 2-methoxy-6-methyl-9-(oxan-2-yl)purine?
The canonical SMILES for 2-methoxy-6-methyl-9-(oxan-2-yl)purine is COc1nc(C)c2ncn(C3CCCCO3)c2n1.
What is the InChIKey of 2-methoxy-6-methyl-9-(oxan-2-yl)purine?
The InChIKey is BCCDJRVQVAPNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-10-11(15-12(14-8)17-2)16(7-13-10)9-5-3-4-6-18-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-9-(oxan-2-yl)purine?
2-methoxy-6-methyl-9-(oxan-2-yl)purine has a molecular weight of 248.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-9-(oxan-2-yl)purine is sourced from PubChem (CID 133059804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).