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

C15H23IN2O2 — CID 136963971

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(I)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C15H23IN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyPXESREOLEYZRNO-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.38
Rot. Bonds4

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

2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one (PubChem CID 136963971) has the molecular formula C15H23IN2O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
PubChem CID136963971
Molecular FormulaC15H23IN2O2
Molecular Weight390.27 g/mol
Exact Mass390.08
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(CC)c(I)c(=O)[nH]2)CCC(C)CC1
InChIInChI=1S/C15H23IN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyPXESREOLEYZRNO-UHFFFAOYSA-N
XLogP3.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.38
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

5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-1H-pyrimidin-6-one
CID 136963951
2-(1-ethoxy-4,4-dimethylcyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963802
4-ethyl-5-iodo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 136963968
2-(1-ethoxycyclopentyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136963792
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
2-(1-ethoxycyclopentyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136963871
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
2-(1-ethoxycyclohexyl)-5-iodo-4-methyl-1H-pyrimidin-6-one
CID 136983398
2-(1-ethoxycycloheptyl)-5-iodo-4-propan-2-yl-1H-pyrimidin-6-one
CID 136964013
2-(1-ethoxy-4-methylcyclohexyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963627
4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745253
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one (CID 136963971) is 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one is CCOC1(c2nc(CC)c(I)c(=O)[nH]2)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one?
The InChIKey is PXESREOLEYZRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O2/c1-4-11-12(16)13(19)18-14(17-11)15(20-5-2)8-6-10(3)7-9-15/h10H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one?
2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one has a molecular weight of 390.27 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-4-ethyl-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136963971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).