1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine

C8H12BrN3O — CID 68710980

IUPAC1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-13-3-2-7(10)8-11-4-6(9)5-12-8/h4-5,7H,2-3,10H2,1H3
InChIKeyAQRCDEOWJWHFAO-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.28
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine

1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine (PubChem CID 68710980) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
PubChem CID68710980
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-13-3-2-7(10)8-11-4-6(9)5-12-8/h4-5,7H,2-3,10H2,1H3
InChIKeyAQRCDEOWJWHFAO-UHFFFAOYSA-N
XLogP1.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine (CID 68710980) is 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine is COCCC(N)c1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine?
The InChIKey is AQRCDEOWJWHFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-13-3-2-7(10)8-11-4-6(9)5-12-8/h4-5,7H,2-3,10H2,1H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine?
1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine has a molecular weight of 246.11 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 68710980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).