6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione

C12H11N5O5 — CID 535986

IUPAC6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-3-5-8(6-4-7)17(21)22/h3-6,18H,1-2H3/b14-13+
InChIKeyDBGSXJGUIVIBFC-BUHFOSPRSA-N
MW305.25 g/mol
LogP1.11
Rot. Bonds3

About 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione (PubChem CID 535986) has the molecular formula C12H11N5O5 and a molecular weight of 305.25 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
PubChem CID535986
Molecular FormulaC12H11N5O5
Molecular Weight305.25 g/mol
Exact Mass305.08
IUPAC Name6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione
SMILESCn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O
InChIInChI=1S/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-3-5-8(6-4-7)17(21)22/h3-6,18H,1-2H3/b14-13+
InChIKeyDBGSXJGUIVIBFC-BUHFOSPRSA-N
XLogP1.11
TPSA132.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135837405
methyl-(4-nitrophenyl)diazene
CID 20760343
1-[4-[(4-nitrophenyl)diazenyl]phenyl]pyrrole-2,5-dione
CID 101057085
5-methyl-4-[(4-nitrophenyl)diazenyl]-3-oxo-1H-pyrazole-2-carbothioamide
CID 3743456
5-methyl-4-[(4-nitrophenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 5113368
2-methyl-6-[(4-nitrophenyl)diazenyl]phenol
CID 135789847
2-hydroxy-1-(3-methoxypropyl)-4-methyl-5-[(4-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
CID 135835093
(4-nitrophenyl)-phenyldiazene
CID 17222
1,3-dimethyl-6-nitroquinazoline-2,4-dione
CID 12666513
(4-nitrophenyl)methyl 4-hydroxy-N-(4-methoxyphenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidothioate
CID 137093808
3,4,6-trichloro-2-[(4-nitrophenyl)diazenyl]phenol
CID 136695318
2,6-dibromo-4-[(4-nitrophenyl)diazenyl]phenol
CID 135612765

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione (CID 535986) is 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione is Cn1c(O)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione?
The InChIKey is DBGSXJGUIVIBFC-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H11N5O5/c1-15-10(18)9(11(19)16(2)12(15)20)14-13-7-3-5-8(6-4-7)17(21)22/h3-6,18H,1-2H3/b14-13+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione has a molecular weight of 305.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[(4-nitrophenyl)diazenyl]pyrimidine-2,4-dione is sourced from PubChem (CID 535986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).