5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine

C13H20BrN3O2 — CID 80880911

IUPAC5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OCC2CCOCC2)n1
InChIInChI=1S/C13H20BrN3O2/c1-2-5-15-13-16-8-11(14)12(17-13)19-9-10-3-6-18-7-4-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyPMOZODPJXHUIMY-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.87
Rot. Bonds6

About 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine

5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine (PubChem CID 80880911) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
PubChem CID80880911
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Br)c(OCC2CCOCC2)n1
InChIInChI=1S/C13H20BrN3O2/c1-2-5-15-13-16-8-11(14)12(17-13)19-9-10-3-6-18-7-4-10/h8,10H,2-7,9H2,1H3,(H,15,16,17)
InChIKeyPMOZODPJXHUIMY-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxan-4-ylmethoxy)-N-propyl-7H-purin-2-amine
CID 114787653
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-4-[(2-methylpropan-2-yl)oxy]-N-propylpyrimidin-2-amine
CID 80861307
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
5-bromo-4-(3-methylmorpholin-4-yl)-N-propylpyrimidin-2-amine
CID 80780829
5-bromo-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80828904
4-methyl-6-(oxolan-3-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80872217
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80852163
5-bromo-4-N-(1,4-dioxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine (CID 80880911) is 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine is CCCNc1ncc(Br)c(OCC2CCOCC2)n1.
What is the InChIKey of 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine?
The InChIKey is PMOZODPJXHUIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-2-5-15-13-16-8-11(14)12(17-13)19-9-10-3-6-18-7-4-10/h8,10H,2-7,9H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine?
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine has a molecular weight of 330.23 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80880911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).