5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine

C10H15BrClN3 — CID 107205369

IUPAC5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
SMILESCN(CCCCCCl)c1ncncc1Br
InChIInChI=1S/C10H15BrClN3/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6H2,1H3
InChIKeyOKNBOUPEBACAQX-UHFFFAOYSA-N
MW292.61 g/mol
LogP3.08
Rot. Bonds6

About 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine

5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine (PubChem CID 107205369) has the molecular formula C10H15BrClN3 and a molecular weight of 292.61 g/mol. Its IUPAC name is 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
PubChem CID107205369
Molecular FormulaC10H15BrClN3
Molecular Weight292.61 g/mol
Exact Mass291.01
IUPAC Name5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
SMILESCN(CCCCCCl)c1ncncc1Br
InChIInChI=1S/C10H15BrClN3/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6H2,1H3
InChIKeyOKNBOUPEBACAQX-UHFFFAOYSA-N
XLogP3.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.61
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
5-bromo-N-(2-chloroethyl)-N-ethylpyrimidin-4-amine
CID 66320500
(2S)-1-[(5-bromopyrimidin-4-yl)-methylamino]propan-2-ol
CID 131203459
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
3-[(5-bromopyrimidin-4-yl)-methylamino]-N'-hydroxypropanimidamide
CID 77126226
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 66340835
5-bromo-N-ethoxy-N-methylpyrimidin-4-amine
CID 131159567
N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
5-bromo-N-[(4-ethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66339754
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrimidin-4-amine
CID 66340620
N-[(4-aminophenyl)methyl]-5-bromo-N-methylpyrimidin-4-amine
CID 66319954
4-[[(5-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114952153

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine (CID 107205369) is 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine is CN(CCCCCCl)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
The InChIKey is OKNBOUPEBACAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClN3/c1-15(6-4-2-3-5-12)10-9(11)7-13-8-14-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine?
5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine has a molecular weight of 292.61 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107205369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).