7-methyl-2-[3-(2-methylpropoxy)phenyl]purine

C16H18N4O — CID 157013000

IUPAC7-methyl-2-[3-(2-methylpropoxy)phenyl]purine
SMILESCC(C)COc1cccc(-c2ncc3c(ncn3C)n2)c1
InChIInChI=1S/C16H18N4O/c1-11(2)9-21-13-6-4-5-12(7-13)15-17-8-14-16(19-15)18-10-20(14)3/h4-8,10-11H,9H2,1-3H3
InChIKeyOGPHWSXSRUMCIP-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.07
Rot. Bonds4

About 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine

7-methyl-2-[3-(2-methylpropoxy)phenyl]purine (PubChem CID 157013000) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine.

Molecular Properties

Compound Name7-methyl-2-[3-(2-methylpropoxy)phenyl]purine
PubChem CID157013000
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-methyl-2-[3-(2-methylpropoxy)phenyl]purine
SMILESCC(C)COc1cccc(-c2ncc3c(ncn3C)n2)c1
InChIInChI=1S/C16H18N4O/c1-11(2)9-21-13-6-4-5-12(7-13)15-17-8-14-16(19-15)18-10-20(14)3/h4-8,10-11H,9H2,1-3H3
InChIKeyOGPHWSXSRUMCIP-UHFFFAOYSA-N
XLogP3.07
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-7-methylpurine
CID 163305532
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
diethyl-bis[4-[3-(2-methylpropoxy)phenyl]phenyl]silane
CID 177480590
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
4-methyl-5-[3-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 82161283
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
(2R)-2-[4-[3-(2-methylpropoxy)phenyl]pyrazol-1-yl]propanamide
CID 97434347
1-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxy-N-methylpropan-2-amine
CID 117231190
3-(1-aminoethyl)-1-methyl-6-[3-(2-methylpropoxy)phenyl]pyridin-2-one
CID 82518171

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine?
The IUPAC name of 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine (CID 157013000) is 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine.
What is the SMILES notation for 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine?
The canonical SMILES for 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine is CC(C)COc1cccc(-c2ncc3c(ncn3C)n2)c1.
What is the InChIKey of 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine?
The InChIKey is OGPHWSXSRUMCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(2)9-21-13-6-4-5-12(7-13)15-17-8-14-16(19-15)18-10-20(14)3/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine?
7-methyl-2-[3-(2-methylpropoxy)phenyl]purine has a molecular weight of 282.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(2-methylpropoxy)phenyl]purine is sourced from PubChem (CID 157013000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).