6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione

C9H9N5O4 — CID 171982597

IUPAC6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N5O4/c1-3-5(8(17)14-13-3)10-2-4-6(15)11-9(18)12-7(4)16/h2H,1H3,(H2,13,14,17)(H3,11,12,15,16,18)/b10-2+
InChIKeyWYVKZAHNDYRHNJ-WTDSWWLTSA-N
MW251.20 g/mol
LogP-1.16
Rot. Bonds2

About 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione

6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione (PubChem CID 171982597) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
PubChem CID171982597
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH][nH]c(=O)c1/N=C/c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H9N5O4/c1-3-5(8(17)14-13-3)10-2-4-6(15)11-9(18)12-7(4)16/h2H,1H3,(H2,13,14,17)(H3,11,12,15,16,18)/b10-2+
InChIKeyWYVKZAHNDYRHNJ-WTDSWWLTSA-N
XLogP-1.16
TPSA146.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione (CID 171982597) is 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione is Cc1[nH][nH]c(=O)c1/N=C/c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WYVKZAHNDYRHNJ-WTDSWWLTSA-N. The full InChI is InChI=1S/C9H9N5O4/c1-3-5(8(17)14-13-3)10-2-4-6(15)11-9(18)12-7(4)16/h2H,1H3,(H2,13,14,17)(H3,11,12,15,16,18)/b10-2+.
What are the key properties of 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione?
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 251.20 g/mol, XLogP of -1.16, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 171982597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).