2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one

C12H12N10O2 — CID 136657308

IUPAC2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
SMILESCCNc1nc2c(ncn2-n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1
InChIInChI=1S/C12H12N10O2/c1-2-14-12-18-8-6(10(24)20-12)16-4-22(8)21-3-15-5-7(21)17-11(13)19-9(5)23/h3-4H,2H2,1H3,(H3,13,17,19,23)(H2,14,18,20,24)
InChIKeyGNZDOYVOHBZVKQ-UHFFFAOYSA-N
MW328.30 g/mol
LogP-1.12
Rot. Bonds3

About 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one

2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one (PubChem CID 136657308) has the molecular formula C12H12N10O2 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
PubChem CID136657308
Molecular FormulaC12H12N10O2
Molecular Weight328.30 g/mol
Exact Mass328.11
IUPAC Name2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
SMILESCCNc1nc2c(ncn2-n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1
InChIInChI=1S/C12H12N10O2/c1-2-14-12-18-8-6(10(24)20-12)16-4-22(8)21-3-15-5-7(21)17-11(13)19-9(5)23/h3-4H,2H2,1H3,(H3,13,17,19,23)(H2,14,18,20,24)
InChIKeyGNZDOYVOHBZVKQ-UHFFFAOYSA-N
XLogP-1.12
TPSA165.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-amino-9-ethyl-1H-purin-6-one
CID 135415584
2-amino-9-[2-amino-6-(methoxyamino)purin-9-yl]-1H-purin-6-one
CID 170160535
9-methyl-2-(propylamino)-1H-purin-6-one
CID 170237995
2-amino-9-(1-hydroxypropyl)-1H-purin-6-one
CID 137154787
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(ethylamino)-1H-purin-6-one
CID 155898515
2-amino-9-octyl-1H-purin-6-one
CID 135415590
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-amino-9-(2-hydroxyethyl)-1H-purin-6-one;ethane;methanol
CID 153365638
2-amino-9-(2,4,4-trimethylpentyl)-1H-purin-6-one
CID 174181747
2-amino-9-tetradecan-7-yl-1H-purin-6-one
CID 137034322
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333
2-amino-9-cyclopentyl-1H-purin-6-one
CID 135408673

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one?
The IUPAC name of 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one (CID 136657308) is 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one?
The canonical SMILES for 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one is CCNc1nc2c(ncn2-n2cnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one?
The InChIKey is GNZDOYVOHBZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N10O2/c1-2-14-12-18-8-6(10(24)20-12)16-4-22(8)21-3-15-5-7(21)17-11(13)19-9(5)23/h3-4H,2H2,1H3,(H3,13,17,19,23)(H2,14,18,20,24).
What are the key properties of 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one?
2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one has a molecular weight of 328.30 g/mol, XLogP of -1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one is sourced from PubChem (CID 136657308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).