2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C13H19IN2O3 — CID 116745240

IUPAC2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H19IN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyUAZOAGDQPAGUTF-UHFFFAOYSA-N
MW378.21 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 116745240) has the molecular formula C13H19IN2O3 and a molecular weight of 378.21 g/mol. Its IUPAC name is 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID116745240
Molecular FormulaC13H19IN2O3
Molecular Weight378.21 g/mol
Exact Mass378.04
IUPAC Name2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H19IN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeyUAZOAGDQPAGUTF-UHFFFAOYSA-N
XLogP2.52
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 52.52
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

2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745253
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136963971
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
2-(1-ethoxy-3-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475658
2-(1-ethoxy-3-methylcyclohexyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476927
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
4-tert-butyl-2-(1-ethoxycyclopentyl)-5-iodo-1H-pyrimidin-6-one
CID 136963939
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 116745240) is 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(I)c(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is UAZOAGDQPAGUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O3/c1-3-19-13(6-4-5-8(2)7-13)12-15-10(17)9(14)11(18)16-12/h8H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 378.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 116745240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).