5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione

C8H10N6O4 — CID 159888289

IUPAC5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)[nH]c1=O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C4H5N3O2/c5-2-1-6-4(9)7-3(2)8;5-2-1-3(8)7-4(9)6-2/h1H,5H2,(H2,6,7,8,9);1H,(H4,5,6,7,8,9)
InChIKeyNUKMDBNZIQWAAX-UHFFFAOYSA-N
MW254.21 g/mol
LogP-2.71
Rot. Bonds

About 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione

5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione (PubChem CID 159888289) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione
PubChem CID159888289
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)[nH]c1=O.Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C4H5N3O2/c5-2-1-6-4(9)7-3(2)8;5-2-1-3(8)7-4(9)6-2/h1H,5H2,(H2,6,7,8,9);1H,(H4,5,6,7,8,9)
InChIKeyNUKMDBNZIQWAAX-UHFFFAOYSA-N
XLogP-2.71
TPSA183.48 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.21
LogP ≤ 5-2.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione (CID 159888289) is 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione is Nc1c[nH]c(=O)[nH]c1=O.Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione?
The InChIKey is NUKMDBNZIQWAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N3O2/c5-2-1-6-4(9)7-3(2)8;5-2-1-3(8)7-4(9)6-2/h1H,5H2,(H2,6,7,8,9);1H,(H4,5,6,7,8,9).
What are the key properties of 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione?
5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione has a molecular weight of 254.21 g/mol, XLogP of -2.71, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-pyrimidine-2,4-dione;6-amino-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 159888289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).