5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine

C11H17BrN4O — CID 80870583

IUPAC5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCCN2CCCCC2)n1
InChIInChI=1S/C11H17BrN4O/c12-9-8-14-11(13)15-10(9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H2,13,14,15)
InChIKeySGMFWUCLVOXJJC-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.69
Rot. Bonds4

About 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine

5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine (PubChem CID 80870583) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
PubChem CID80870583
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCCN2CCCCC2)n1
InChIInChI=1S/C11H17BrN4O/c12-9-8-14-11(13)15-10(9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H2,13,14,15)
InChIKeySGMFWUCLVOXJJC-UHFFFAOYSA-N
XLogP1.69
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
1-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-amine
CID 103079138
5-methyl-2-(2-pyrrolidin-1-ylethoxy)pyridin-3-amine
CID 66279790
5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 22326855
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
4,5-dibromo-3,6-bis(2-piperidin-1-ylethoxy)acridine
CID 20553499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine (CID 80870583) is 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine is Nc1ncc(Br)c(OCCN2CCCCC2)n1.
What is the InChIKey of 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
The InChIKey is SGMFWUCLVOXJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-8-14-11(13)15-10(9)17-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H2,13,14,15).
What are the key properties of 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine?
5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine has a molecular weight of 301.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80870583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).