2,8-dimethyl-6-phenylmethoxy-7H-purine

C14H14N4O — CID 22960895

IUPAC2,8-dimethyl-6-phenylmethoxy-7H-purine
SMILESCc1nc(OCc2ccccc2)c2[nH]c(C)nc2n1
InChIInChI=1S/C14H14N4O/c1-9-15-12-13(16-9)17-10(2)18-14(12)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,17,18)
InChIKeyPLWHRJCWZSBBQY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.55
Rot. Bonds3

About 2,8-dimethyl-6-phenylmethoxy-7H-purine

2,8-dimethyl-6-phenylmethoxy-7H-purine (PubChem CID 22960895) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,8-dimethyl-6-phenylmethoxy-7H-purine.

Molecular Properties

Compound Name2,8-dimethyl-6-phenylmethoxy-7H-purine
PubChem CID22960895
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2,8-dimethyl-6-phenylmethoxy-7H-purine
SMILESCc1nc(OCc2ccccc2)c2[nH]c(C)nc2n1
InChIInChI=1S/C14H14N4O/c1-9-15-12-13(16-9)17-10(2)18-14(12)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,17,18)
InChIKeyPLWHRJCWZSBBQY-UHFFFAOYSA-N
XLogP2.55
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,5-dimethyl-6-phenylmethoxypyrimidin-4-yl)hydrazine
CID 80910056
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
(2-amino-6-phenylmethoxy-7H-purin-8-yl)methyl acetate
CID 146503029
6-phenylmethoxy-7,9-dihydro-3H-purine-2,8-dione
CID 10355139
6-phenylmethoxy-8-[(E)-2-thiophen-2-ylethenyl]-7H-purin-2-amine
CID 155902309
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
2-fluoro-3,5-dimethyl-6-phenylmethoxypyridine
CID 144823733
2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carboxamide
CID 156634517
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
2-methyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methylsulfonyl-4-phenylmethoxy-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 158425326
(4-methoxyphenyl)-(6-phenylmethoxy-7H-purin-2-yl)diazene
CID 71562691
3-[[8-methyl-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-7H-purin-2-yl]oxy]-4-phenylmethoxybenzonitrile
CID 142643075

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-phenylmethoxy-7H-purine?
The IUPAC name of 2,8-dimethyl-6-phenylmethoxy-7H-purine (CID 22960895) is 2,8-dimethyl-6-phenylmethoxy-7H-purine.
What is the SMILES notation for 2,8-dimethyl-6-phenylmethoxy-7H-purine?
The canonical SMILES for 2,8-dimethyl-6-phenylmethoxy-7H-purine is Cc1nc(OCc2ccccc2)c2[nH]c(C)nc2n1.
What is the InChIKey of 2,8-dimethyl-6-phenylmethoxy-7H-purine?
The InChIKey is PLWHRJCWZSBBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-15-12-13(16-9)17-10(2)18-14(12)19-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2,8-dimethyl-6-phenylmethoxy-7H-purine?
2,8-dimethyl-6-phenylmethoxy-7H-purine has a molecular weight of 254.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-phenylmethoxy-7H-purine is sourced from PubChem (CID 22960895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).