4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine

C14H20ClIN2O2 — CID 116746401

IUPAC4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(I)c(CC(C)C)n2)CCOCC1
InChIInChI=1S/C14H20ClIN2O2/c1-9(2)8-10-11(16)12(15)18-13(17-10)14(19-3)4-6-20-7-5-14/h9H,4-8H2,1-3H3
InChIKeyOIJPRANUTIOXMM-UHFFFAOYSA-N
MW410.68 g/mol
LogP3.59
Rot. Bonds4

About 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine

4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine (PubChem CID 116746401) has the molecular formula C14H20ClIN2O2 and a molecular weight of 410.68 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
PubChem CID116746401
Molecular FormulaC14H20ClIN2O2
Molecular Weight410.68 g/mol
Exact Mass410.03
IUPAC Name4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine
SMILESCOC1(c2nc(Cl)c(I)c(CC(C)C)n2)CCOCC1
InChIInChI=1S/C14H20ClIN2O2/c1-9(2)8-10-11(16)12(15)18-13(17-10)14(19-3)4-6-20-7-5-14/h9H,4-8H2,1-3H3
InChIKeyOIJPRANUTIOXMM-UHFFFAOYSA-N
XLogP3.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.68
LogP ≤ 53.59
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

4,6-dichloro-2-(4-methoxyoxan-4-yl)-5-methylpyrimidine
CID 116745967
4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
CID 116746144
5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777303
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
5-bromo-2-(4-methoxyoxan-4-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136964103
4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275
4-chloro-6-(methoxymethyl)-2-(4-methoxyoxan-4-yl)pyrimidine
CID 116745866
5-bromo-2-(1-methoxycyclohexyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116777283
5-(1-chloroethyl)-3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazole
CID 116740050
4-ethyl-2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742417
4-chloro-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116746100
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine (CID 116746401) is 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine is COC1(c2nc(Cl)c(I)c(CC(C)C)n2)CCOCC1.
What is the InChIKey of 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine?
The InChIKey is OIJPRANUTIOXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O2/c1-9(2)8-10-11(16)12(15)18-13(17-10)14(19-3)4-6-20-7-5-14/h9H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine?
4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine has a molecular weight of 410.68 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-2-(4-methoxyoxan-4-yl)-6-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 116746401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).