5,6-diamino-5H-pyrimidine-2,4-dione

C4H6N4O2 — CID 45080205

IUPAC5,6-diamino-5H-pyrimidine-2,4-dione
SMILESNC1=NC(=O)NC(=O)C1N
InChIInChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h1H,5H2,(H3,6,7,8,9,10)
InChIKeyBYNOBVYBGLAZDE-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.08
Rot. Bonds

About 5,6-diamino-5H-pyrimidine-2,4-dione

5,6-diamino-5H-pyrimidine-2,4-dione (PubChem CID 45080205) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 5,6-diamino-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-5H-pyrimidine-2,4-dione
PubChem CID45080205
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name5,6-diamino-5H-pyrimidine-2,4-dione
SMILESNC1=NC(=O)NC(=O)C1N
InChIInChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h1H,5H2,(H3,6,7,8,9,10)
InChIKeyBYNOBVYBGLAZDE-UHFFFAOYSA-N
XLogP-2.08
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
5,7-dihydro-1H-purine-2,6,8(9H)-trione
CID 24771781
8-Aminoxanthine
CID 135754539
Pteridine-2,4(3h,4ah)-dione
CID 23422119
(4-Hydroxy-2,6-diimino-1,2,5,6-tetrahydropyrimidin-5-yl)methanimidic acid
CID 139031186
3,5-Dihydropurine-2,6-dione
CID 408611
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
CID 56616942
N-(2-amino-4-imino-6-oxo-1H-pyrimidin-5-yl)formamide
CID 152743479
N-(4-amino-1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetamide
CID 10307934
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163
5-amino-5H-pyrimidine-2,4-dione
CID 72206609

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-5H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-5H-pyrimidine-2,4-dione (CID 45080205) is 5,6-diamino-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-5H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-5H-pyrimidine-2,4-dione is NC1=NC(=O)NC(=O)C1N.
What is the InChIKey of 5,6-diamino-5H-pyrimidine-2,4-dione?
The InChIKey is BYNOBVYBGLAZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h1H,5H2,(H3,6,7,8,9,10).
What are the key properties of 5,6-diamino-5H-pyrimidine-2,4-dione?
5,6-diamino-5H-pyrimidine-2,4-dione has a molecular weight of 142.12 g/mol, XLogP of -2.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 45080205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).