2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one

C12H14N10O2 — CID 160674517

IUPAC2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
SMILESCCn1cnc2nc(N)[nH]c(=O)c21.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O.C5H5N5O/c1-2-12-3-9-5-4(12)6(13)11-7(8)10-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h3H,2H2,1H3,(H3,8,10,11,13);1H,(H4,6,7,8,9,10,11)
InChIKeyRNJCENDCDUPIQU-UHFFFAOYSA-N
MW330.31 g/mol
LogP-1.05
Rot. Bonds1

About 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one

2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one (PubChem CID 160674517) has the molecular formula C12H14N10O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
PubChem CID160674517
Molecular FormulaC12H14N10O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one
SMILESCCn1cnc2nc(N)[nH]c(=O)c21.Nc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H9N5O.C5H5N5O/c1-2-12-3-9-5-4(12)6(13)11-7(8)10-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h3H,2H2,1H3,(H3,8,10,11,13);1H,(H4,6,7,8,9,10,11)
InChIKeyRNJCENDCDUPIQU-UHFFFAOYSA-N
XLogP-1.05
TPSA190.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-7-(2-chloroethyl)-1H-purin-6-one;2-amino-1,7-dihydropurin-6-one;2-amino-7-(2-hydroxyethyl)-1H-purin-6-one
CID 174568361
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-7-[(E)-pent-2-enyl]-1H-purin-6-one
CID 135474619
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
methyl 2-(2-amino-6-oxo-1H-purin-7-yl)acetate
CID 136707556
2-amino-1,7-dihydropurin-6-one;anthracene-9,10-dione
CID 136626730
2-amino-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135405774
2-amino-1,7-dihydropurin-6-one;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 159387270

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one?
The IUPAC name of 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one (CID 160674517) is 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one.
What is the SMILES notation for 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one?
The canonical SMILES for 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one is CCn1cnc2nc(N)[nH]c(=O)c21.Nc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one?
The InChIKey is RNJCENDCDUPIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.C5H5N5O/c1-2-12-3-9-5-4(12)6(13)11-7(8)10-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h3H,2H2,1H3,(H3,8,10,11,13);1H,(H4,6,7,8,9,10,11).
What are the key properties of 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one?
2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one has a molecular weight of 330.31 g/mol, XLogP of -1.05, 1 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,7-dihydropurin-6-one;2-amino-7-ethyl-1H-purin-6-one is sourced from PubChem (CID 160674517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).