5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine

C15H16Br2N2 — CID 114205767

IUPAC5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2ccc(Br)cc2)ncc1CBr
InChIInChI=1S/C15H16Br2N2/c1-10(2)15-12(8-16)9-18-14(19-15)7-11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWHXJZRMFHNRMDA-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.85
Rot. Bonds4

About 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine

5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine (PubChem CID 114205767) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine
PubChem CID114205767
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cc2ccc(Br)cc2)ncc1CBr
InChIInChI=1S/C15H16Br2N2/c1-10(2)15-12(8-16)9-18-14(19-15)7-11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWHXJZRMFHNRMDA-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine?
The IUPAC name of 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine (CID 114205767) is 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine is CC(C)c1nc(Cc2ccc(Br)cc2)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine?
The InChIKey is WHXJZRMFHNRMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c1-10(2)15-12(8-16)9-18-14(19-15)7-11-3-5-13(17)6-4-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine?
5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine has a molecular weight of 384.12 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[(4-bromophenyl)methyl]-4-propan-2-ylpyrimidine is sourced from PubChem (CID 114205767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).