4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

C12H17IN2O3 — CID 116745241

IUPAC4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C12H17IN2O3/c1-18-12(6-4-2-3-5-7-12)11-14-9(16)8(13)10(17)15-11/h2-7H2,1H3,(H2,14,15,16,17)
InChIKeyRKYWUKFPNLIBEV-UHFFFAOYSA-N
MW364.18 g/mol
LogP2.28
Rot. Bonds2

About 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (PubChem CID 116745241) has the molecular formula C12H17IN2O3 and a molecular weight of 364.18 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
PubChem CID116745241
Molecular FormulaC12H17IN2O3
Molecular Weight364.18 g/mol
Exact Mass364.03
IUPAC Name4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C12H17IN2O3/c1-18-12(6-4-2-3-5-7-12)11-14-9(16)8(13)10(17)15-11/h2-7H2,1H3,(H2,14,15,16,17)
InChIKeyRKYWUKFPNLIBEV-UHFFFAOYSA-N
XLogP2.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609921
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 116745112
2-(1-ethoxycycloheptyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745120
5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745128
2-(1-ethoxycycloheptyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 116745135
4-hydroxy-2-(1-methoxycycloheptyl)-5-propyl-1H-pyrimidin-6-one
CID 116745146
2-(1-ethoxycycloheptyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116745155
4-hydroxy-2-(1-methoxycycloheptyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 116745165

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (CID 116745241) is 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is COC1(c2nc(O)c(I)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The InChIKey is RKYWUKFPNLIBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O3/c1-18-12(6-4-2-3-5-7-12)11-14-9(16)8(13)10(17)15-11/h2-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one has a molecular weight of 364.18 g/mol, XLogP of 2.28, 2 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-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).