5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione

C8H8N6O4 — CID 91199939

IUPAC5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione
SMILESNc1c(Nn2ccc(=O)[nH]c2=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N6O4/c9-4-5(11-7(17)12-6(4)16)13-14-2-1-3(15)10-8(14)18/h1-2H,9H2,(H,10,15,18)(H3,11,12,13,16,17)
InChIKeyRJYRIPOMSKNRGV-UHFFFAOYSA-N
MW252.19 g/mol
LogP-2.63
Rot. Bonds2

About 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione

5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione (PubChem CID 91199939) has the molecular formula C8H8N6O4 and a molecular weight of 252.19 g/mol. Its IUPAC name is 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione
PubChem CID91199939
Molecular FormulaC8H8N6O4
Molecular Weight252.19 g/mol
Exact Mass252.06
IUPAC Name5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione
SMILESNc1c(Nn2ccc(=O)[nH]c2=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N6O4/c9-4-5(11-7(17)12-6(4)16)13-14-2-1-3(15)10-8(14)18/h1-2H,9H2,(H,10,15,18)(H3,11,12,13,16,17)
InChIKeyRJYRIPOMSKNRGV-UHFFFAOYSA-N
XLogP-2.63
TPSA158.63 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-2.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione (CID 91199939) is 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione is Nc1c(Nn2ccc(=O)[nH]c2=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione?
The InChIKey is RJYRIPOMSKNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O4/c9-4-5(11-7(17)12-6(4)16)13-14-2-1-3(15)10-8(14)18/h1-2H,9H2,(H,10,15,18)(H3,11,12,13,16,17).
What are the key properties of 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione?
5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione has a molecular weight of 252.19 g/mol, XLogP of -2.63, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2,4-dioxopyrimidin-1-yl)amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91199939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).