2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one

C13H19IN2O2 — CID 136983398

IUPAC2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(I)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H19IN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyRJGPPKTUTIDSTM-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.88
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one

2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983398) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
PubChem CID136983398
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC Name2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(I)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H19IN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyRJGPPKTUTIDSTM-UHFFFAOYSA-N
XLogP2.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
4-tert-butyl-2-(1-ethoxycyclopentyl)-5-iodo-1H-pyrimidin-6-one
CID 136963939
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
5-bromo-4-tert-butyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963928
4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
CID 136960446
2-(1-ethoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136963559
5-bromo-2-(1-ethoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136963889
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
5-bromo-2-(1-ethoxycyclopentyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963992
5-bromo-2-(1-ethoxycyclohexyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964105

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one (CID 136983398) is 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)c(I)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RJGPPKTUTIDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 362.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).