N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H11N5O4 — CID 134533754

IUPACN-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2c[nH][nH]2)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H11N5O4/c19-10(9-11(20)16-13(22)17-12(9)21)15-7-3-1-6(2-4-7)8-5-14-18-8/h1-5,14,18H,(H,15,19)(H3,16,17,20,21,22)
InChIKeyNCSPMIRMCOMOIM-UHFFFAOYSA-N
MW301.26 g/mol
LogP0.34
Rot. Bonds3

About N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 134533754) has the molecular formula C13H11N5O4 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID134533754
Molecular FormulaC13H11N5O4
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC NameN-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(-c2c[nH][nH]2)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H11N5O4/c19-10(9-11(20)16-13(22)17-12(9)21)15-7-3-1-6(2-4-7)8-5-14-18-8/h1-5,14,18H,(H,15,19)(H3,16,17,20,21,22)
InChIKeyNCSPMIRMCOMOIM-UHFFFAOYSA-N
XLogP0.34
TPSA146.63 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.26
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 134533754) is N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(-c2c[nH][nH]2)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NCSPMIRMCOMOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O4/c19-10(9-11(20)16-13(22)17-12(9)21)15-7-3-1-6(2-4-7)8-5-14-18-8/h1-5,14,18H,(H,15,19)(H3,16,17,20,21,22).
What are the key properties of N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 301.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 134533754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).