2-amino-8-deuterio-1,9-dihydropurin-6-one

C5H5N5O — CID 136912024

IUPAC2-amino-8-deuterio-1,9-dihydropurin-6-one
SMILES[2H]c1nc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i1D
InChIKeyUYTPUPDQBNUYGX-MICDWDOJSA-N
MW152.14 g/mol
LogP-0.77
Rot. Bonds

About 2-amino-8-deuterio-1,9-dihydropurin-6-one

2-amino-8-deuterio-1,9-dihydropurin-6-one (PubChem CID 136912024) has the molecular formula C5H5N5O and a molecular weight of 152.14 g/mol. Its IUPAC name is 2-amino-8-deuterio-1,9-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-deuterio-1,9-dihydropurin-6-one
PubChem CID136912024
Molecular FormulaC5H5N5O
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name2-amino-8-deuterio-1,9-dihydropurin-6-one
SMILES[2H]c1nc2c(=O)[nH]c(N)nc2[nH]1
InChIInChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i1D
InChIKeyUYTPUPDQBNUYGX-MICDWDOJSA-N
XLogP-0.77
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3H-pteridin-4-one;azane
CID 174295951
2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 169060191
2-amino-3H-pteridin-4-one;methanamine
CID 146301753
2-amino-4,7-dioxo-3,8-dihydropteridine-6-carboxylic acid
CID 135408140
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
2-amino-5,8-dihydroxy-3H-quinazolin-4-one
CID 137175521
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135398563
2-amino-6-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 163206466
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
2,8-dideuterio-3,9-dihydropurin-6-one
CID 136960302
2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
2-amino-9-[(1S,4S)-4-(2-amino-6-oxo-1H-purin-9-yl)-1,4-dihydroxybutyl]-1H-purin-6-one
CID 136669333

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-deuterio-1,9-dihydropurin-6-one?
The IUPAC name of 2-amino-8-deuterio-1,9-dihydropurin-6-one (CID 136912024) is 2-amino-8-deuterio-1,9-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-deuterio-1,9-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-deuterio-1,9-dihydropurin-6-one is [2H]c1nc2c(=O)[nH]c(N)nc2[nH]1.
What is the InChIKey of 2-amino-8-deuterio-1,9-dihydropurin-6-one?
The InChIKey is UYTPUPDQBNUYGX-MICDWDOJSA-N. The full InChI is InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i1D.
What are the key properties of 2-amino-8-deuterio-1,9-dihydropurin-6-one?
2-amino-8-deuterio-1,9-dihydropurin-6-one has a molecular weight of 152.14 g/mol, XLogP of -0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-deuterio-1,9-dihydropurin-6-one is sourced from PubChem (CID 136912024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).