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

C14H11Br2ClN2 — CID 66293928

IUPAC5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H11Br2ClN2/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2
InChIKeyUIVWMOLFHACRKA-UHFFFAOYSA-N
MW402.52 g/mol
LogP5.12
Rot. Bonds3

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

5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine (PubChem CID 66293928) has the molecular formula C14H11Br2ClN2 and a molecular weight of 402.52 g/mol. Its IUPAC name is 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
PubChem CID66293928
Molecular FormulaC14H11Br2ClN2
Molecular Weight402.52 g/mol
Exact Mass399.90
IUPAC Name5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
SMILESClc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br
InChIInChI=1S/C14H11Br2ClN2/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2
InChIKeyUIVWMOLFHACRKA-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.52
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine (CID 66293928) is 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine is Clc1nc(Cc2ccc(Br)cc2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is UIVWMOLFHACRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2/c15-10-5-1-8(2-6-10)7-11-18-13(9-3-4-9)12(16)14(17)19-11/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 402.52 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 66293928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).