2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

C14H13BrCl2N2O — CID 63612519

IUPAC2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(Cl)c(C(C)C)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-7(2)11-12(16)18-14(19-13(11)17)9-6-8(15)4-5-10(9)20-3/h4-7H,1-3H3
InChIKeyRJMQSFKNVPXKIL-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.34
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (PubChem CID 63612519) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
PubChem CID63612519
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
SMILESCOc1ccc(Br)cc1-c1nc(Cl)c(C(C)C)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-7(2)11-12(16)18-14(19-13(11)17)9-6-8(15)4-5-10(9)20-3/h4-7H,1-3H3
InChIKeyRJMQSFKNVPXKIL-UHFFFAOYSA-N
XLogP5.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
CID 63613498
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
2-(4-bromophenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612334
5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 112742090
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine (CID 63612519) is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is COc1ccc(Br)cc1-c1nc(Cl)c(C(C)C)c(Cl)n1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
The InChIKey is RJMQSFKNVPXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-7(2)11-12(16)18-14(19-13(11)17)9-6-8(15)4-5-10(9)20-3/h4-7H,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine?
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine has a molecular weight of 376.08 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63612519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).