5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine

C15H16BrClN2O2 — CID 66313822

IUPAC5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(Cl)c(Br)c(C(C)C)n2)c1
InChIInChI=1S/C15H16BrClN2O2/c1-8(2)13-12(16)14(17)19-15(18-13)10-7-9(20-3)5-6-11(10)21-4/h5-8H,1-4H3
InChIKeyTYLCLOBZRCPLCE-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.70
Rot. Bonds4

About 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine (PubChem CID 66313822) has the molecular formula C15H16BrClN2O2 and a molecular weight of 371.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
PubChem CID66313822
Molecular FormulaC15H16BrClN2O2
Molecular Weight371.66 g/mol
Exact Mass370.01
IUPAC Name5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
SMILESCOc1ccc(OC)c(-c2nc(Cl)c(Br)c(C(C)C)n2)c1
InChIInChI=1S/C15H16BrClN2O2/c1-8(2)13-12(16)14(17)19-15(18-13)10-7-9(20-3)5-6-11(10)21-4/h5-8H,1-4H3
InChIKeyTYLCLOBZRCPLCE-UHFFFAOYSA-N
XLogP4.70
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
5-bromo-2-(2-bromophenyl)-4-chloro-6-propan-2-ylpyrimidine
CID 66291996
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
CID 66293425
2-(2,5-dimethoxyphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 62913464
4-chloro-6-(2,5-dimethoxyphenyl)-5-methyl-2-propan-2-ylpyrimidine
CID 80970109
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 106819726
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine (CID 66313822) is 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine is COc1ccc(OC)c(-c2nc(Cl)c(Br)c(C(C)C)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine?
The InChIKey is TYLCLOBZRCPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O2/c1-8(2)13-12(16)14(17)19-15(18-13)10-7-9(20-3)5-6-11(10)21-4/h5-8H,1-4H3.
What are the key properties of 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine has a molecular weight of 371.66 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66313822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).