5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine

C14H14BrClN2O3 — CID 66312425

IUPAC5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2nc(C)c(Br)c(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C14H14BrClN2O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3
InChIKeyGADKIXLDYLLXAE-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine (PubChem CID 66312425) has the molecular formula C14H14BrClN2O3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
PubChem CID66312425
Molecular FormulaC14H14BrClN2O3
Molecular Weight373.63 g/mol
Exact Mass371.99
IUPAC Name5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(-c2nc(C)c(Br)c(Cl)n2)cc(OC)c1OC
InChIInChI=1S/C14H14BrClN2O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3
InChIKeyGADKIXLDYLLXAE-UHFFFAOYSA-N
XLogP3.89
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 66303625
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
CID 66313968
5-bromo-4-chloro-6-methyl-2-(1H-pyrazol-4-yl)pyrimidine
CID 130572949
[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252025
3-chloro-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 112572038
2,6-dichloro-3-methyl-4-(3,4,5-trimethoxyphenyl)pyridine
CID 15154294
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659
5-bromo-4-chloro-2-(1-ethylpyrazol-4-yl)-6-methylpyrimidine
CID 103570148
5-bromo-4-chloro-2-(3,5-dichloro-2-pyridinyl)-6-methylpyrimidine
CID 79786506
5-bromo-4-chloro-6-methyl-2-(1-methylimidazol-4-yl)pyrimidine
CID 130598648

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine (CID 66312425) is 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine is COc1cc(-c2nc(C)c(Br)c(Cl)n2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
The InChIKey is GADKIXLDYLLXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine has a molecular weight of 373.63 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 66312425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).