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

C14H12BrClN2 — CID 55203028

IUPAC2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H12BrClN2/c15-11-5-1-9(2-6-11)7-14-17-12(10-3-4-10)8-13(16)18-14/h1-2,5-6,8,10H,3-4,7H2
InChIKeyAFOVVALLJHKFCP-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.36
Rot. Bonds3

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

2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine (PubChem CID 55203028) has the molecular formula C14H12BrClN2 and a molecular weight of 323.62 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
PubChem CID55203028
Molecular FormulaC14H12BrClN2
Molecular Weight323.62 g/mol
Exact Mass321.99
IUPAC Name2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine
SMILESClc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H12BrClN2/c15-11-5-1-9(2-6-11)7-14-17-12(10-3-4-10)8-13(16)18-14/h1-2,5-6,8,10H,3-4,7H2
InChIKeyAFOVVALLJHKFCP-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine (CID 55203028) is 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine is Clc1cc(C2CC2)nc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is AFOVVALLJHKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2/c15-11-5-1-9(2-6-11)7-14-17-12(10-3-4-10)8-13(16)18-14/h1-2,5-6,8,10H,3-4,7H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine?
2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 323.62 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 55203028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).