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

C14H14BrClN2O3 — CID 103523993

IUPAC4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C14H14BrClN2O3/c1-19-7-12-17-9(6-11(16)18-12)8-4-5-10(20-2)13(15)14(8)21-3/h4-6H,7H2,1-3H3
InChIKeyWCRSYNTZVMVMFN-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.72
Rot. Bonds5

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

4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine (PubChem CID 103523993) has the molecular formula C14H14BrClN2O3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine
PubChem CID103523993
Molecular FormulaC14H14BrClN2O3
Molecular Weight373.63 g/mol
Exact Mass371.99
IUPAC Name4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cl)cc(-c2ccc(OC)c(Br)c2OC)n1
InChIInChI=1S/C14H14BrClN2O3/c1-19-7-12-17-9(6-11(16)18-12)8-4-5-10(20-2)13(15)14(8)21-3/h4-6H,7H2,1-3H3
InChIKeyWCRSYNTZVMVMFN-UHFFFAOYSA-N
XLogP3.72
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine?
The IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine (CID 103523993) is 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine is COCc1nc(Cl)cc(-c2ccc(OC)c(Br)c2OC)n1.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine?
The InChIKey is WCRSYNTZVMVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O3/c1-19-7-12-17-9(6-11(16)18-12)8-4-5-10(20-2)13(15)14(8)21-3/h4-6H,7H2,1-3H3.
What are the key properties of 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine?
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine has a molecular weight of 373.63 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 103523993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).