5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine

C13H20BrN3O — CID 66301225

IUPAC5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc(CC)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-6-15-13-11(14)10(4-2)16-12(17-13)9-5-7-18-8-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZJEZLWNKDXWACA-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.13
Rot. Bonds5

About 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine

5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 66301225) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
PubChem CID66301225
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CCOC2)nc(CC)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-6-15-13-11(14)10(4-2)16-12(17-13)9-5-7-18-8-9/h9H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyZJEZLWNKDXWACA-UHFFFAOYSA-N
XLogP3.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-ethyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 66300830
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
6-ethyl-2-(oxolan-3-yl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 65329062
N-[[4-ethyl-2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 114206721
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-N-propylpyrimidin-4-amine
CID 79961331
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine (CID 66301225) is 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2CCOC2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is ZJEZLWNKDXWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-6-15-13-11(14)10(4-2)16-12(17-13)9-5-7-18-8-9/h9H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66301225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).