2-(3-bromophenyl)-5-decylpyrimidine

C20H27BrN2 — CID 18934324

IUPAC2-(3-bromophenyl)-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(-c2cccc(Br)c2)nc1
InChIInChI=1S/C20H27BrN2/c1-2-3-4-5-6-7-8-9-11-17-15-22-20(23-16-17)18-12-10-13-19(21)14-18/h10,12-16H,2-9,11H2,1H3
InChIKeyGYQPVWKSBJDVIR-UHFFFAOYSA-N
MW375.35 g/mol
LogP6.59
Rot. Bonds10

About 2-(3-bromophenyl)-5-decylpyrimidine

2-(3-bromophenyl)-5-decylpyrimidine (PubChem CID 18934324) has the molecular formula C20H27BrN2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-decylpyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-decylpyrimidine
PubChem CID18934324
Molecular FormulaC20H27BrN2
Molecular Weight375.35 g/mol
Exact Mass374.14
IUPAC Name2-(3-bromophenyl)-5-decylpyrimidine
SMILESCCCCCCCCCCc1cnc(-c2cccc(Br)c2)nc1
InChIInChI=1S/C20H27BrN2/c1-2-3-4-5-6-7-8-9-11-17-15-22-20(23-16-17)18-12-10-13-19(21)14-18/h10,12-16H,2-9,11H2,1H3
InChIKeyGYQPVWKSBJDVIR-UHFFFAOYSA-N
XLogP6.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
5-pentadecyl-2-(4-phenylphenyl)pyrimidine
CID 140591488
5-hexyl-2-(4-phenylphenyl)pyrimidine
CID 21393178
2-[3-[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]-5-decylpyrimidine
CID 140591528
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-decylpyrimidine?
The IUPAC name of 2-(3-bromophenyl)-5-decylpyrimidine (CID 18934324) is 2-(3-bromophenyl)-5-decylpyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-5-decylpyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-5-decylpyrimidine is CCCCCCCCCCc1cnc(-c2cccc(Br)c2)nc1.
What is the InChIKey of 2-(3-bromophenyl)-5-decylpyrimidine?
The InChIKey is GYQPVWKSBJDVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2/c1-2-3-4-5-6-7-8-9-11-17-15-22-20(23-16-17)18-12-10-13-19(21)14-18/h10,12-16H,2-9,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-5-decylpyrimidine?
2-(3-bromophenyl)-5-decylpyrimidine has a molecular weight of 375.35 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-decylpyrimidine is sourced from PubChem (CID 18934324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).