6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one

C4H5N3O2 — CID 10486867

IUPAC6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one
SMILESNc1[14nH][13c](=O)[14n]cc1O
InChIInChI=1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1,8H,(H3,5,6,7,9)/i4+1,6+0,7+0
InChIKeyNLLCDONDZDHLCI-MXBFSUGWSA-N
MW128.09 g/mol
LogP-0.94
Rot. Bonds

About 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one

6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one (PubChem CID 10486867) has the molecular formula C4H5N3O2 and a molecular weight of 128.09 g/mol. Its IUPAC name is 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one
PubChem CID10486867
Molecular FormulaC4H5N3O2
Molecular Weight128.09 g/mol
Exact Mass128.04
IUPAC Name6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one
SMILESNc1[14nH][13c](=O)[14n]cc1O
InChIInChI=1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1,8H,(H3,5,6,7,9)/i4+1,6+0,7+0
InChIKeyNLLCDONDZDHLCI-MXBFSUGWSA-N
XLogP-0.94
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-5-hydroxy-2(1H)-pyrimidinone
CID 3014752
5-hydroxy-6-(methylamino)-1H-pyrimidin-2-one
CID 69009422
4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742
5-Fluoro-cytosine monohydrate
CID 129660715
6-Amino-1,5-dihydroxypyrimidin-2-one
CID 139880869
6-Amino-5-hydroxy-1-sulfanylpyrimidin-2-one
CID 141205075
5-fluoro-6-isocyanato-1H-pyrimidin-2-one;hydrate
CID 174459409
6-(dimethylamino)-5-hydroxy-1H-pyrimidin-2-one
CID 175432768
5-hydroxy-6-(hydroxyamino)-1H-pyrimidin-2-one
CID 177734723
CID 178617827
CID 178617827
(6-amino-2-oxo-1H-pyrimidin-5-yl) hydrogen sulfate
CID 13125503
6-amino-5-hydroperoxy-1H-pyrimidin-2-one
CID 55289441

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one (CID 10486867) is 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one is Nc1[14nH][13c](=O)[14n]cc1O.
What is the InChIKey of 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one?
The InChIKey is NLLCDONDZDHLCI-MXBFSUGWSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3-2(8)1-6-4(9)7-3/h1,8H,(H3,5,6,7,9)/i4+1,6+0,7+0.
What are the key properties of 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one?
6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one has a molecular weight of 128.09 g/mol, XLogP of -0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one is sourced from PubChem (CID 10486867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).