4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one

C10H11IN4O3 — CID 113463475

IUPAC4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(O)c(I)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C10H11IN4O3/c1-4-5(10(18-3)15(2)14-4)7-12-8(16)6(11)9(17)13-7/h1-3H3,(H2,12,13,16,17)
InChIKeyXGJJOWDRYHDMAE-UHFFFAOYSA-N
MW362.13 g/mol
LogP0.80
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 113463475) has the molecular formula C10H11IN4O3 and a molecular weight of 362.13 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID113463475
Molecular FormulaC10H11IN4O3
Molecular Weight362.13 g/mol
Exact Mass361.99
IUPAC Name4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(O)c(I)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C10H11IN4O3/c1-4-5(10(18-3)15(2)14-4)7-12-8(16)6(11)9(17)13-7/h1-3H3,(H2,12,13,16,17)
InChIKeyXGJJOWDRYHDMAE-UHFFFAOYSA-N
XLogP0.80
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 113463475) is 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one is COc1c(-c2nc(O)c(I)c(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is XGJJOWDRYHDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN4O3/c1-4-5(10(18-3)15(2)14-4)7-12-8(16)6(11)9(17)13-7/h1-3H3,(H2,12,13,16,17).
What are the key properties of 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 362.13 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 113463475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).