4-(7-bromoheptyl)pyrimidine

C11H17BrN2 — CID 171785163

IUPAC4-(7-bromoheptyl)pyrimidine
SMILESBrCCCCCCCc1ccncn1
InChIInChI=1S/C11H17BrN2/c12-8-5-3-1-2-4-6-11-7-9-13-10-14-11/h7,9-10H,1-6,8H2
InChIKeyBRHBYOJCTFZSKJ-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.36
Rot. Bonds7

About 4-(7-bromoheptyl)pyrimidine

4-(7-bromoheptyl)pyrimidine (PubChem CID 171785163) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-(7-bromoheptyl)pyrimidine.

Molecular Properties

Compound Name4-(7-bromoheptyl)pyrimidine
PubChem CID171785163
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC Name4-(7-bromoheptyl)pyrimidine
SMILESBrCCCCCCCc1ccncn1
InChIInChI=1S/C11H17BrN2/c12-8-5-3-1-2-4-6-11-7-9-13-10-14-11/h7,9-10H,1-6,8H2
InChIKeyBRHBYOJCTFZSKJ-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-pyrimidin-4-ylhexanoate
CID 155251569
4-(6-bromohexyl)pyridine
CID 10633887
4-propylpyrimidine
CID 18996562
ethane;pyrimidin-4-ylmethanamine
CID 90939628
2-dodecyl-2-(5-pyrimidin-4-ylpentyl)propanedioic acid
CID 139782884
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
2-[3-(6-bromohexoxy)propyl]pyridine
CID 22161742
N-(2-pyrimidin-4-ylethyl)formamide
CID 57044040
1,4-bis(8-bromooctyl)benzene
CID 19907449
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-pyrimidin-4-ylacetonitrile
CID 14169572
4,4-dimethyl-1-pyrimidin-4-ylpentan-3-one
CID 158821572

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromoheptyl)pyrimidine?
The IUPAC name of 4-(7-bromoheptyl)pyrimidine (CID 171785163) is 4-(7-bromoheptyl)pyrimidine.
What is the SMILES notation for 4-(7-bromoheptyl)pyrimidine?
The canonical SMILES for 4-(7-bromoheptyl)pyrimidine is BrCCCCCCCc1ccncn1.
What is the InChIKey of 4-(7-bromoheptyl)pyrimidine?
The InChIKey is BRHBYOJCTFZSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c12-8-5-3-1-2-4-6-11-7-9-13-10-14-11/h7,9-10H,1-6,8H2.
What are the key properties of 4-(7-bromoheptyl)pyrimidine?
4-(7-bromoheptyl)pyrimidine has a molecular weight of 257.17 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromoheptyl)pyrimidine is sourced from PubChem (CID 171785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).