5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine

C14H11BrCl2N2 — CID 66293927

IUPAC5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
SMILESClc1ccc(Cc2nc(Cl)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H11BrCl2N2/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2
InChIKeyHOMJQRSGORUACG-UHFFFAOYSA-N
MW358.07 g/mol
LogP5.01
Rot. Bonds3

About 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine

5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine (PubChem CID 66293927) has the molecular formula C14H11BrCl2N2 and a molecular weight of 358.07 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
PubChem CID66293927
Molecular FormulaC14H11BrCl2N2
Molecular Weight358.07 g/mol
Exact Mass355.95
IUPAC Name5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine
SMILESClc1ccc(Cc2nc(Cl)c(Br)c(C3CC3)n2)cc1
InChIInChI=1S/C14H11BrCl2N2/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2
InChIKeyHOMJQRSGORUACG-UHFFFAOYSA-N
XLogP5.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.07
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine (CID 66293927) is 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine is Clc1ccc(Cc2nc(Cl)c(Br)c(C3CC3)n2)cc1.
What is the InChIKey of 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine?
The InChIKey is HOMJQRSGORUACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2/c15-12-13(9-3-4-9)18-11(19-14(12)17)7-8-1-5-10(16)6-2-8/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine?
5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine has a molecular weight of 358.07 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(4-chlorophenyl)methyl]-6-cyclopropylpyrimidine is sourced from PubChem (CID 66293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).