2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one

C5H7N5O2 — CID 133057029

IUPAC2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one
SMILESNC1=NC(O)c2[nH]c(=O)[nH]c2N1
InChIInChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h3,11H,(H3,6,8,10)(H2,7,9,12)
InChIKeyBVEHSUVSGVXQAG-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.57
Rot. Bonds

About 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one

2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one (PubChem CID 133057029) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one.

Molecular Properties

Compound Name2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one
PubChem CID133057029
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC Name2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one
SMILESNC1=NC(O)c2[nH]c(=O)[nH]c2N1
InChIInChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h3,11H,(H3,6,8,10)(H2,7,9,12)
InChIKeyBVEHSUVSGVXQAG-UHFFFAOYSA-N
XLogP-1.57
TPSA119.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-6-hydroxy-3,6,7,9-tetrahydro-1H-purine-2,8-dione
CID 138747922
4-amino-2-hydroxy-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 122691685
6-amino-4-hydroxy-1-methyl-4,7-dihydroimidazo[4,5-e][1,3]diazepin-8-one
CID 163535911
(7S)-7-hydroxy-4-oxa-2,6,9,11-tetrazatricyclo[6.3.0.03,5]undec-1(8)-en-10-one
CID 138747923
2-amino-3,7a-dihydrobenzimidazol-5-one
CID 23644106
8-hydroxy-3,7,8,9-tetrahydropurine-2,6-dione
CID 89409733
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
4-hydroxy-5-piperidin-4-yl-1,3-dihydroimidazol-2-one
CID 54339870
2-amino-4,5,7,9-tetrahydro-1H-purine-6,8-dione
CID 57309538
(7S,8R)-2-amino-7,8-dihydroxy-6-(hydroxymethyl)-3,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d]pyrimidin-4-one
CID 102295863
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7,8,8a-hexahydropteridin-4-one
CID 171124029
2-amino-5-[[(3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl)amino]methyl]-3,4a,7,7a-tetrahydropyrrolo[2,3-d]pyrimidin-4-one
CID 89381180

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one?
The IUPAC name of 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one (CID 133057029) is 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one.
What is the SMILES notation for 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one?
The canonical SMILES for 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one is NC1=NC(O)c2[nH]c(=O)[nH]c2N1.
What is the InChIKey of 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one?
The InChIKey is BVEHSUVSGVXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h3,11H,(H3,6,8,10)(H2,7,9,12).
What are the key properties of 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one?
2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one has a molecular weight of 169.14 g/mol, XLogP of -1.57, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hydroxy-3,6,7,9-tetrahydropurin-8-one is sourced from PubChem (CID 133057029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).