N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate

C6H12N4O5 — CID 139081844

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate
SMILESCC(=O)Nc1c(O)nc(N)[nH]c1=O.O.O
InChIInChI=1S/C6H8N4O3.2H2O/c1-2(11)8-3-4(12)9-6(7)10-5(3)13;;/h1H3,(H,8,11)(H4,7,9,10,12,13);2*1H2
InChIKeyJIPVITBNQCIAOJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP-2.63
Rot. Bonds1

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate (PubChem CID 139081844) has the molecular formula C6H12N4O5 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate
PubChem CID139081844
Molecular FormulaC6H12N4O5
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate
SMILESCC(=O)Nc1c(O)nc(N)[nH]c1=O.O.O
InChIInChI=1S/C6H8N4O3.2H2O/c1-2(11)8-3-4(12)9-6(7)10-5(3)13;;/h1H3,(H,8,11)(H4,7,9,10,12,13);2*1H2
InChIKeyJIPVITBNQCIAOJ-UHFFFAOYSA-N
XLogP-2.63
TPSA184.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide
CID 910746
2,6-Diamino-5-acetylamino-4-hydroxypyrimidine
CID 135789704
Pyrimidine, 2,4-diamino-6-hydroxy-5-propionamido-
CID 137243182
Pyrimidine, 2,4,5-trisacetamido-6-hydroxy-
CID 171383949
5-Acetamido-2-amino-4,6-dihydroxypyrimidine
CID 14893054
1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-methylurea
CID 295917
1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-methylurea;hydrochloride
CID 24195757
N-(2-amino-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135491051
(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)urea
CID 29972010
ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 66758257
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxyacetamide
CID 66758413
5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 149328354

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate (CID 139081844) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate is CC(=O)Nc1c(O)nc(N)[nH]c1=O.O.O.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate?
The InChIKey is JIPVITBNQCIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3.2H2O/c1-2(11)8-3-4(12)9-6(7)10-5(3)13;;/h1H3,(H,8,11)(H4,7,9,10,12,13);2*1H2.
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate has a molecular weight of 220.18 g/mol, XLogP of -2.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide;dihydrate is sourced from PubChem (CID 139081844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).