2-(methoxymethyl)-1,7-dihydropurin-6-one

C7H8N4O2 — CID 150327797

IUPAC2-(methoxymethyl)-1,7-dihydropurin-6-one
SMILESCOCc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O2/c1-13-2-4-10-6-5(7(12)11-4)8-3-9-6/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyGOZXCGMZRSXZGZ-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.21
Rot. Bonds2

About 2-(methoxymethyl)-1,7-dihydropurin-6-one

2-(methoxymethyl)-1,7-dihydropurin-6-one (PubChem CID 150327797) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-1,7-dihydropurin-6-one
PubChem CID150327797
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name2-(methoxymethyl)-1,7-dihydropurin-6-one
SMILESCOCc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H8N4O2/c1-13-2-4-10-6-5(7(12)11-4)8-3-9-6/h3H,2H2,1H3,(H2,8,9,10,11,12)
InChIKeyGOZXCGMZRSXZGZ-UHFFFAOYSA-N
XLogP-0.21
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-oxo-1,7-dihydropurin-2-yl)butyl]-1,7-dihydropurin-6-one
CID 137190272
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-(2,2-dimethoxyethylamino)-1,7-dihydropurin-6-one
CID 136951529
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004
CID 135997841
CID 135997841
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(methoxymethyl)-1,7-dihydropurin-6-one (CID 150327797) is 2-(methoxymethyl)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(methoxymethyl)-1,7-dihydropurin-6-one is COCc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-1,7-dihydropurin-6-one?
The InChIKey is GOZXCGMZRSXZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-13-2-4-10-6-5(7(12)11-4)8-3-9-6/h3H,2H2,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-(methoxymethyl)-1,7-dihydropurin-6-one?
2-(methoxymethyl)-1,7-dihydropurin-6-one has a molecular weight of 180.17 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,7-dihydropurin-6-one is sourced from PubChem (CID 150327797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).