N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

C15H25BrN4 — CID 106193008

IUPACN-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCc1nc(Br)cc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C15H25BrN4/c1-12-18-14(16)11-15(19-12)17-9-6-10-20(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyFDANJVLQHWVHKH-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.61
Rot. Bonds6

About N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine

N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (PubChem CID 106193008) has the molecular formula C15H25BrN4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
PubChem CID106193008
Molecular FormulaC15H25BrN4
Molecular Weight341.30 g/mol
Exact Mass340.13
IUPAC NameN-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
SMILESCc1nc(Br)cc(NCCCN(C)C2CCCCC2)n1
InChIInChI=1S/C15H25BrN4/c1-12-18-14(16)11-15(19-12)17-9-6-10-20(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyFDANJVLQHWVHKH-UHFFFAOYSA-N
XLogP3.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714
6-N-[3-[cyclohexyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 80648183
N'-cyclopropyl-N-(2,6-dimethylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 62980104
N'-cyclohexyl-N-(6-fluoropyrimidin-4-yl)-N'-methylpropane-1,3-diamine
CID 114156444
2-[3-[cyclohexyl(methyl)amino]propylamino]quinoline-4-carboxylic acid
CID 50805947
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002
N'-cyclohexyl-N-(4,6-dichloro-1,3,5-triazin-2-yl)-N'-methylpropane-1,3-diamine
CID 106192998
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106997593
6-N-butyl-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112867907
4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115266412

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine (CID 106193008) is N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is Cc1nc(Br)cc(NCCCN(C)C2CCCCC2)n1.
What is the InChIKey of N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
The InChIKey is FDANJVLQHWVHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4/c1-12-18-14(16)11-15(19-12)17-9-6-10-20(2)13-7-4-3-5-8-13/h11,13H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine?
N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine has a molecular weight of 341.30 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methylpyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 106193008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).