4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine

C14H18ClIN2O2 — CID 116746348

IUPAC4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
SMILESCCOC1(c2nc(Cl)c(I)c(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H18ClIN2O2/c1-2-20-14(5-7-19-8-6-14)13-17-11(9-3-4-9)10(16)12(15)18-13/h9H,2-8H2,1H3
InChIKeyUKKWELBQUONXTP-UHFFFAOYSA-N
MW408.67 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine

4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine (PubChem CID 116746348) has the molecular formula C14H18ClIN2O2 and a molecular weight of 408.67 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
PubChem CID116746348
Molecular FormulaC14H18ClIN2O2
Molecular Weight408.67 g/mol
Exact Mass408.01
IUPAC Name4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
SMILESCCOC1(c2nc(Cl)c(I)c(C3CC3)n2)CCOCC1
InChIInChI=1S/C14H18ClIN2O2/c1-2-20-14(5-7-19-8-6-14)13-17-11(9-3-4-9)10(16)12(15)18-13/h9H,2-8H2,1H3
InChIKeyUKKWELBQUONXTP-UHFFFAOYSA-N
XLogP3.65
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
CID 116746144
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470638
[4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazol-5-yl]methanamine
CID 114361912
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
5-bromo-4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 136964072
4-cyclopropyl-2-(4-ethoxyoxan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360222
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine (CID 116746348) is 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine is CCOC1(c2nc(Cl)c(I)c(C3CC3)n2)CCOCC1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine?
The InChIKey is UKKWELBQUONXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O2/c1-2-20-14(5-7-19-8-6-14)13-17-11(9-3-4-9)10(16)12(15)18-13/h9H,2-8H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine?
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine has a molecular weight of 408.67 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine is sourced from PubChem (CID 116746348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).