4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine

C14H20ClIN2O2 — CID 116746144

IUPAC4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C2(OCC)CCOCC2)nc(Cl)c1I
InChIInChI=1S/C14H20ClIN2O2/c1-3-5-10-11(16)12(15)18-13(17-10)14(20-4-2)6-8-19-9-7-14/h3-9H2,1-2H3
InChIKeyADZXYVAKACLAGP-UHFFFAOYSA-N
MW410.68 g/mol
LogP3.73
Rot. Bonds5

About 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine

4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine (PubChem CID 116746144) has the molecular formula C14H20ClIN2O2 and a molecular weight of 410.68 g/mol. Its IUPAC name is 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
PubChem CID116746144
Molecular FormulaC14H20ClIN2O2
Molecular Weight410.68 g/mol
Exact Mass410.03
IUPAC Name4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C2(OCC)CCOCC2)nc(Cl)c1I
InChIInChI=1S/C14H20ClIN2O2/c1-3-5-10-11(16)12(15)18-13(17-10)14(20-4-2)6-8-19-9-7-14/h3-9H2,1-2H3
InChIKeyADZXYVAKACLAGP-UHFFFAOYSA-N
XLogP3.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 53.73
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-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
CID 116746401
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(4-ethoxyoxan-4-yl)-4-propyl-1,3-thiazole
CID 116782769
5-(bromomethyl)-2-(4-ethoxyoxan-4-yl)-4-ethylpyrimidine
CID 114205724
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine (CID 116746144) is 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine is CCCc1nc(C2(OCC)CCOCC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine?
The InChIKey is ADZXYVAKACLAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O2/c1-3-5-10-11(16)12(15)18-13(17-10)14(20-4-2)6-8-19-9-7-14/h3-9H2,1-2H3.
What are the key properties of 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine?
4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine has a molecular weight of 410.68 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 116746144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).