4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one

C11H15IN2O3 — CID 106825680

IUPAC4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCC(CO)CC2)c1I
InChIInChI=1S/C11H15IN2O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5H2,(H,13,14,16)
InChIKeyUPPRKIQRNADMET-UHFFFAOYSA-N
MW350.16 g/mol
LogP1.30
Rot. Bonds3

About 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one

4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 106825680) has the molecular formula C11H15IN2O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
PubChem CID106825680
Molecular FormulaC11H15IN2O3
Molecular Weight350.16 g/mol
Exact Mass350.01
IUPAC Name4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OC2CCC(CO)CC2)c1I
InChIInChI=1S/C11H15IN2O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5H2,(H,13,14,16)
InChIKeyUPPRKIQRNADMET-UHFFFAOYSA-N
XLogP1.30
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 51.30
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-(3-aminocyclobutyl)oxy-5-iodo-1H-pyrimidin-6-one
CID 114586552
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
4-but-3-enoxy-5-iodo-1H-pyrimidin-6-one
CID 114676298
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136758195
5-amino-4-cyclohexyloxy-1H-pyrimidin-6-one
CID 19152719
4-(3-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241726
[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanol
CID 106825896
4-[3-(cyclopropylmethoxy)propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136689230
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
(4-pyridin-4-yloxycyclohexyl)methanol
CID 106825907

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one (CID 106825680) is 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OC2CCC(CO)CC2)c1I.
What is the InChIKey of 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UPPRKIQRNADMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O3/c12-9-10(16)13-6-14-11(9)17-8-3-1-7(5-15)2-4-8/h6-8,15H,1-5H2,(H,13,14,16).
What are the key properties of 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one?
4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 350.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 106825680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).