2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol

C10H16BrN3O2 — CID 103817617

IUPAC2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-3-4-14(5-6-15)10-12-7-8(11)9(13-10)16-2/h7,15H,3-6H2,1-2H3
InChIKeyMNUFRUMFTPRHBG-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.46
Rot. Bonds6

About 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol

2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol (PubChem CID 103817617) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
PubChem CID103817617
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1ncc(Br)c(OC)n1
InChIInChI=1S/C10H16BrN3O2/c1-3-4-14(5-6-15)10-12-7-8(11)9(13-10)16-2/h7,15H,3-6H2,1-2H3
InChIKeyMNUFRUMFTPRHBG-UHFFFAOYSA-N
XLogP1.46
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-bromo-4-methoxy-N-propylpyrimidin-2-amine
CID 106998746
5-bromo-N-(2-chloroethyl)-N-ethyl-4-methoxypyrimidin-2-amine
CID 106999735
5-bromo-4-methoxy-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106998327
5-bromo-N-ethyl-N-(2-ethylbutyl)-4-methoxypyrimidin-2-amine
CID 106998751
5-bromo-N-(2-bromoethyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999813
2-[(5-bromo-4-methyl-2-pyridinyl)-propylamino]ethanol
CID 115774139
5-bromo-N-ethyl-4-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 106998750
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
5-bromo-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 103745897
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propylamino]ethanol
CID 80752006
5-bromo-N-cyclopentyl-N-ethyl-4-methoxypyrimidin-2-amine
CID 106998740

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol?
The IUPAC name of 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol (CID 103817617) is 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol is CCCN(CCO)c1ncc(Br)c(OC)n1.
What is the InChIKey of 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol?
The InChIKey is MNUFRUMFTPRHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-4-14(5-6-15)10-12-7-8(11)9(13-10)16-2/h7,15H,3-6H2,1-2H3.
What are the key properties of 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol?
2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol has a molecular weight of 290.16 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methoxypyrimidin-2-yl)-propylamino]ethanol is sourced from PubChem (CID 103817617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).