3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol

C9H14BrN3O2 — CID 80866531

IUPAC3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCNc1ncc(Br)c(OCCCO)n1
InChIInChI=1S/C9H14BrN3O2/c1-2-11-9-12-6-7(10)8(13-9)15-5-3-4-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyBEIUQQDCFSAOEC-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.43
Rot. Bonds6

About 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol

3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80866531) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID80866531
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCNc1ncc(Br)c(OCCCO)n1
InChIInChI=1S/C9H14BrN3O2/c1-2-11-9-12-6-7(10)8(13-9)15-5-3-4-14/h6,14H,2-5H2,1H3,(H,11,12,13)
InChIKeyBEIUQQDCFSAOEC-UHFFFAOYSA-N
XLogP1.43
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865636
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
CID 103408326
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
2-[2-(ethylamino)-5-methylpyrimidin-4-yl]oxyethanol
CID 80859751
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
5-bromo-N-ethyl-4-(2-methylbutan-2-yloxy)pyrimidin-2-amine
CID 80861907
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
3-(5-bromo-2-chloropyrimidin-4-yl)oxypropan-1-ol
CID 79076426
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 80866531) is 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol is CCNc1ncc(Br)c(OCCCO)n1.
What is the InChIKey of 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is BEIUQQDCFSAOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-2-11-9-12-6-7(10)8(13-9)15-5-3-4-14/h6,14H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 276.13 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80866531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).