6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

C13H14N4O3 — CID 12004447

IUPAC6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NN=Cc2cccc(O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3
InChIKeyKXXPLBHJQZPSHZ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.24
Rot. Bonds3

About 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 12004447) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID12004447
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NN=Cc2cccc(O)c2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3
InChIKeyKXXPLBHJQZPSHZ-UHFFFAOYSA-N
XLogP0.24
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-methoxybenzaldehyde (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
CID 135517027
(E)-4-(2-(3-hydroxybenzylidene)hydrazinyl)pyrimidin-2(1H)-one
CID 6870031
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
3-Hydroxybenzaldehyde (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)hydrazone
CID 46498878
6-[[(E)-(4-hydroxyphenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 156021015
6-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 12218702
6-Amino-5-[(2-hydroxyphenyl)methylideneamino]-1,3-dimethylpyrimidine-2,4-dione
CID 136908488
N-[(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 714336
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-2-one
CID 1417226
2-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509495
6-[2-[(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 136101952
Pyrimidine-2,4(1H,3H)-dione, 3-(2-hydroxybenzylidenamino)-6-methyl-
CID 135747333

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (CID 12004447) is 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NN=Cc2cccc(O)c2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KXXPLBHJQZPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-11(7-12(19)17(2)13(16)20)15-14-8-9-4-3-5-10(18)6-9/h3-8,15,18H,1-2H3.
What are the key properties of 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 274.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12004447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).