5-amino-1H-pyrimidine-2,4-dione

C4H5N3O2 — CID 13611

IUPAC5-amino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKeyBISHACNKZIBDFM-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.35
Rot. Bonds

About 5-amino-1H-pyrimidine-2,4-dione

5-amino-1H-pyrimidine-2,4-dione (PubChem CID 13611) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 5-amino-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1H-pyrimidine-2,4-dione
PubChem CID13611
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name5-amino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKeyBISHACNKZIBDFM-UHFFFAOYSA-N
XLogP-1.35
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Uracil
CID 1174
5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Hydroxydiazenyl)pyrimidine-2,4-diol
CID 227928
5-(Dimethylamino)uracil
CID 255552
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
Uracil C-13, 2-
CID 10171240
2,4-dioxo-1H-pyrimidine-5-diazonium
CID 24328
2,4-Dihydroxy-5-pyrimidinylsulfamic acid
CID 227929
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
5-(dimethylaminodiazenyl)-1H-pyrimidine-2,4-dione
CID 282290
5-Nitrosouracil
CID 328363

Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1H-pyrimidine-2,4-dione (CID 13611) is 5-amino-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1H-pyrimidine-2,4-dione is Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1H-pyrimidine-2,4-dione?
The InChIKey is BISHACNKZIBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9).
What are the key properties of 5-amino-1H-pyrimidine-2,4-dione?
5-amino-1H-pyrimidine-2,4-dione has a molecular weight of 127.10 g/mol, XLogP of -1.35, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 13611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).