4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C12H11IN2O3 — CID 66285983

IUPAC4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(O)c(I)c(=O)[nH]2)cc1
InChIInChI=1S/C12H11IN2O3/c1-18-8-4-2-7(3-5-8)6-9-14-11(16)10(13)12(17)15-9/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeySRNFLIRXQDANBF-UHFFFAOYSA-N
MW358.14 g/mol
LogP1.68
Rot. Bonds3

About 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 66285983) has the molecular formula C12H11IN2O3 and a molecular weight of 358.14 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID66285983
Molecular FormulaC12H11IN2O3
Molecular Weight358.14 g/mol
Exact Mass357.98
IUPAC Name4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1ccc(Cc2nc(O)c(I)c(=O)[nH]2)cc1
InChIInChI=1S/C12H11IN2O3/c1-18-8-4-2-7(3-5-8)6-9-14-11(16)10(13)12(17)15-9/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeySRNFLIRXQDANBF-UHFFFAOYSA-N
XLogP1.68
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-[(4-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613291
2-[(4-methoxyphenyl)methyl]-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941376
2-[(2-bromophenyl)methyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66286771
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834390
4-hydroxy-5-iodo-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 66286976
4-hydroxy-5-iodo-2-[(3-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66286367
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
5-(2,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868395
5-[(4-methoxyphenyl)methyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135547375
5-chloro-3-[(4-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 117106835
[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600800

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 66285983) is 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1ccc(Cc2nc(O)c(I)c(=O)[nH]2)cc1.
What is the InChIKey of 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is SRNFLIRXQDANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN2O3/c1-18-8-4-2-7(3-5-8)6-9-14-11(16)10(13)12(17)15-9/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 358.14 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 66285983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).