4-(5-bromopentyl)-6-chloro-2-methylpyrimidine

C10H14BrClN2 — CID 178102847

IUPAC4-(5-bromopentyl)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(CCCCCBr)n1
InChIInChI=1S/C10H14BrClN2/c1-8-13-9(7-10(12)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3
InChIKeyHTLRHJMKDAHQSH-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.55
Rot. Bonds5

About 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine

4-(5-bromopentyl)-6-chloro-2-methylpyrimidine (PubChem CID 178102847) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-(5-bromopentyl)-6-chloro-2-methylpyrimidine
PubChem CID178102847
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC Name4-(5-bromopentyl)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(CCCCCBr)n1
InChIInChI=1S/C10H14BrClN2/c1-8-13-9(7-10(12)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3
InChIKeyHTLRHJMKDAHQSH-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.55
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

4,6-didodecyl-2-methylpyrimidine
CID 66935955
2-methyl-4,6-dioctylpyrimidine
CID 66935791
(6-chloro-2-methylpyrimidin-4-yl)methanamine
CID 83480049
4-but-3-enyl-6-chloro-2-methylpyrimidine
CID 121205813
4-chloro-6-[(4-chlorophenyl)methyl]-2-methylpyrimidine
CID 121205787
4-bromo-6-chloro-2-methylpyrimidine
CID 66521090
2-chloro-6-pentylpyridine-4-carboxylic acid
CID 165460314
4-methyl-2,6-dioctylpyridine
CID 66935754
2-(7-bromoheptyl)-4-methyl-1,3-thiazole
CID 71350357
4-(benzenesulfinylmethyl)-6-chloro-2-methylpyrimidine
CID 1476640
1-(6-bromohexyl)-5-chloro-2-methoxy-4-methylbenzene
CID 18921839
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine (CID 178102847) is 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine is Cc1nc(Cl)cc(CCCCCBr)n1.
What is the InChIKey of 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine?
The InChIKey is HTLRHJMKDAHQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/c1-8-13-9(7-10(12)14-8)5-3-2-4-6-11/h7H,2-6H2,1H3.
What are the key properties of 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine?
4-(5-bromopentyl)-6-chloro-2-methylpyrimidine has a molecular weight of 277.59 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopentyl)-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 178102847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).