5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine

C11H14BrN5O — CID 106997925

IUPAC5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
SMILESCCC(Nc1ncc(Br)c(OC)n1)c1ncc[nH]1
InChIInChI=1S/C11H14BrN5O/c1-3-8(9-13-4-5-14-9)16-11-15-6-7(12)10(17-11)18-2/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyJILJLPWGHMJPOQ-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.53
Rot. Bonds5

About 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine

5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine (PubChem CID 106997925) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
PubChem CID106997925
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine
SMILESCCC(Nc1ncc(Br)c(OC)n1)c1ncc[nH]1
InChIInChI=1S/C11H14BrN5O/c1-3-8(9-13-4-5-14-9)16-11-15-6-7(12)10(17-11)18-2/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16,17)
InChIKeyJILJLPWGHMJPOQ-UHFFFAOYSA-N
XLogP2.53
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
5-bromo-4-methoxy-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 102809527
5-bromo-N-(1-chloropentan-3-yl)-4-methoxypyrimidin-2-amine
CID 106999864
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-1,3,4-thiadiazol-2-amine
CID 106196368
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
4-chloro-N-[1-(1H-imidazol-2-yl)propyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106196358
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
(2S)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]hexanoic acid
CID 122062838
4-bromo-5-[1-(1H-imidazol-2-yl)propylamino]-2-propan-2-ylpyridazin-3-one
CID 114443072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine (CID 106997925) is 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine is CCC(Nc1ncc(Br)c(OC)n1)c1ncc[nH]1.
What is the InChIKey of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine?
The InChIKey is JILJLPWGHMJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-3-8(9-13-4-5-14-9)16-11-15-6-7(12)10(17-11)18-2/h4-6,8H,3H2,1-2H3,(H,13,14)(H,15,16,17).
What are the key properties of 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine?
5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine has a molecular weight of 312.17 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(1H-imidazol-2-yl)propyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 106997925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).