N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine

C15H19BrN4 — CID 104803750

IUPACN-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccnc(C)n1
InChIInChI=1S/C15H19BrN4/c1-3-5-19-15(14-4-6-18-11(2)20-14)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,15,19H,3,5,8H2,1-2H3
InChIKeyBUMOXQFVTWDGLL-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.23
Rot. Bonds6

About N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine

N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine (PubChem CID 104803750) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
PubChem CID104803750
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC NameN-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncc(Br)c1)c1ccnc(C)n1
InChIInChI=1S/C15H19BrN4/c1-3-5-19-15(14-4-6-18-11(2)20-14)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,15,19H,3,5,8H2,1-2H3
InChIKeyBUMOXQFVTWDGLL-UHFFFAOYSA-N
XLogP3.23
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromo-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine
CID 115531001
N-[2-(5-bromo-3-pyridinyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 104802078
N-[2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 104801443
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
N-[2-(5-bromo-3-pyridinyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 113455089
N-[2-(5-bromo-3-pyridinyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805696
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
N-[2-(5-bromo-3-pyridinyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105181205
N-[2-(5-bromo-3-pyridinyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 104803654
N-[2-(5-bromo-3-pyridinyl)-1-(3,4-dichlorophenyl)ethyl]propan-1-amine
CID 104803602

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine (CID 104803750) is N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cncc(Br)c1)c1ccnc(C)n1.
What is the InChIKey of N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine?
The InChIKey is BUMOXQFVTWDGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-3-5-19-15(14-4-6-18-11(2)20-14)8-12-7-13(16)10-17-9-12/h4,6-7,9-10,15,19H,3,5,8H2,1-2H3.
What are the key properties of N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine?
N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-3-pyridinyl)-1-(2-methylpyrimidin-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104803750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).