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

C10H16BrN3O2 — CID 80865636

IUPAC3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1ncc(Br)c(OCCCO)n1
InChIInChI=1S/C10H16BrN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyHDUUZMGLDTYSPJ-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.82
Rot. Bonds7

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

3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (PubChem CID 80865636) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
PubChem CID80865636
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
SMILESCCCNc1ncc(Br)c(OCCCO)n1
InChIInChI=1S/C10H16BrN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14)
InChIKeyHDUUZMGLDTYSPJ-UHFFFAOYSA-N
XLogP1.82
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.82
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-(propylamino)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-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
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
4-butoxy-5-methyl-N-propylpyrimidin-2-amine
CID 80867481
5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179478
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The IUPAC name of 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol (CID 80865636) is 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The canonical SMILES for 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is CCCNc1ncc(Br)c(OCCCO)n1.
What is the InChIKey of 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
The InChIKey is HDUUZMGLDTYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-2-4-12-10-13-7-8(11)9(14-10)16-6-3-5-15/h7,15H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol?
3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol has a molecular weight of 290.16 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol is sourced from PubChem (CID 80865636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).