2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine

C10H7BrClIN2O2 — CID 106886187

IUPAC2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2occc2Br)nc(Cl)c1I
InChIInChI=1S/C10H7BrClIN2O2/c1-16-4-6-7(13)9(12)15-10(14-6)8-5(11)2-3-17-8/h2-3H,4H2,1H3
InChIKeyBCSXKWPZOIVLNM-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine

2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 106886187) has the molecular formula C10H7BrClIN2O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID106886187
Molecular FormulaC10H7BrClIN2O2
Molecular Weight429.44 g/mol
Exact Mass427.84
IUPAC Name2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2occc2Br)nc(Cl)c1I
InChIInChI=1S/C10H7BrClIN2O2/c1-16-4-6-7(13)9(12)15-10(14-6)8-5(11)2-3-17-8/h2-3H,4H2,1H3
InChIKeyBCSXKWPZOIVLNM-UHFFFAOYSA-N
XLogP3.90
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.90
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

2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314228
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
CID 66294484
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
4-chloro-5-iodo-6-(methoxymethyl)-2-(3-nitrophenyl)pyrimidine
CID 66292636
2-(3-bromofuran-2-yl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 106886172
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
4-chloro-2-(5-fluoro-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 79722788
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine (CID 106886187) is 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(-c2occc2Br)nc(Cl)c1I.
What is the InChIKey of 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is BCSXKWPZOIVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClIN2O2/c1-16-4-6-7(13)9(12)15-10(14-6)8-5(11)2-3-17-8/h2-3H,4H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine?
2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 429.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 106886187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).