4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

C14H14ClIN2O3 — CID 66294483

IUPAC4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O3/c1-19-7-9-12(16)13(15)18-14(17-9)8-4-5-10(20-2)11(6-8)21-3/h4-6H,7H2,1-3H3
InChIKeyDAXZVFWPQRGEES-UHFFFAOYSA-N
MW420.63 g/mol
LogP3.57
Rot. Bonds5

About 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 66294483) has the molecular formula C14H14ClIN2O3 and a molecular weight of 420.63 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID66294483
Molecular FormulaC14H14ClIN2O3
Molecular Weight420.63 g/mol
Exact Mass419.97
IUPAC Name4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O3/c1-19-7-9-12(16)13(15)18-14(17-9)8-4-5-10(20-2)11(6-8)21-3/h4-6H,7H2,1-3H3
InChIKeyDAXZVFWPQRGEES-UHFFFAOYSA-N
XLogP3.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 66292796
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 66292818
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
5-[4-amino-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-2-methoxyphenol
CID 66297778
4-chloro-5-iodo-6-(methoxymethyl)-2-(3-nitrophenyl)pyrimidine
CID 66292636
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (CID 66294483) is 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is DAXZVFWPQRGEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O3/c1-19-7-9-12(16)13(15)18-14(17-9)8-4-5-10(20-2)11(6-8)21-3/h4-6H,7H2,1-3H3.
What are the key properties of 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 420.63 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66294483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).