5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine

C15H17BrN2 — CID 114205688

IUPAC5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine
SMILESCCCc1nc(-c2ccc(C)cc2)ncc1CBr
InChIInChI=1S/C15H17BrN2/c1-3-4-14-13(9-16)10-17-15(18-14)12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyAMMDPVAWJSUUOX-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.30
Rot. Bonds4

About 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine

5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine (PubChem CID 114205688) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine
PubChem CID114205688
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine
SMILESCCCc1nc(-c2ccc(C)cc2)ncc1CBr
InChIInChI=1S/C15H17BrN2/c1-3-4-14-13(9-16)10-17-15(18-14)12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3
InChIKeyAMMDPVAWJSUUOX-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-2-(4-fluorophenyl)-4-propylpyrimidine
CID 114205677
5-(bromomethyl)-2-[2-(2-methoxyethoxy)ethyl]-4-propylpyrimidine
CID 114205686
ethyl 2-(4-chlorophenyl)-4-propylpyrimidine-5-carboxylate
CID 102972636
3-(bromomethyl)-2-propylpyridine
CID 141230444
5-(bromomethyl)-2-phenylpyrimidin-4-amine
CID 91165932
1-[4-ethyl-2-(4-methylphenyl)pyrimidin-5-yl]piperidin-4-amine
CID 117212039
2-(4-ethylsulfanylphenyl)-4-propylpyrimidine-5-carboxylic acid
CID 106849450
5-dodecoxy-2-(4-methylphenyl)pyrimidine
CID 18716574
5-hexyl-2-[4-(4-methylphenyl)phenyl]pyrimidine
CID 22090391
2-(4-chlorophenyl)-5-ethyl-4-methylpyrimidine
CID 129051941
2-(3-fluorophenyl)-4-propylpyrimidin-5-amine
CID 114207096
ethane;[2-(4-methylphenyl)pyrimidin-5-yl]phosphane
CID 90990178

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine?
The IUPAC name of 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine (CID 114205688) is 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine.
What is the SMILES notation for 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine?
The canonical SMILES for 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine is CCCc1nc(-c2ccc(C)cc2)ncc1CBr.
What is the InChIKey of 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine?
The InChIKey is AMMDPVAWJSUUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-3-4-14-13(9-16)10-17-15(18-14)12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine?
5-(bromomethyl)-2-(4-methylphenyl)-4-propylpyrimidine has a molecular weight of 305.22 g/mol, XLogP of 4.30, 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-methylphenyl)-4-propylpyrimidine is sourced from PubChem (CID 114205688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).