5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine

C12H20BrN3O3 — CID 103408326

IUPAC5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCCCOCCOC)n1
InChIInChI=1S/C12H20BrN3O3/c1-3-14-12-15-9-10(13)11(16-12)19-6-4-5-18-8-7-17-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyDXTOXYSQBSJRAX-UHFFFAOYSA-N
MW334.21 g/mol
LogP2.10
Rot. Bonds10

About 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine

5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine (PubChem CID 103408326) has the molecular formula C12H20BrN3O3 and a molecular weight of 334.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
PubChem CID103408326
Molecular FormulaC12H20BrN3O3
Molecular Weight334.21 g/mol
Exact Mass333.07
IUPAC Name5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCCCOCCOC)n1
InChIInChI=1S/C12H20BrN3O3/c1-3-14-12-15-9-10(13)11(16-12)19-6-4-5-18-8-7-17-2/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyDXTOXYSQBSJRAX-UHFFFAOYSA-N
XLogP2.10
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine 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

5-bromo-4-(2-butoxyethoxy)-N-ethylpyrimidin-2-amine
CID 80861009
[5-bromo-4-[2-(3-methoxypropoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 103176581
N-ethyl-4-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-2-amine
CID 113427596
3-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866531
5-bromo-4-(2-methoxyethoxy)-N-propylpyrimidin-2-amine
CID 80858542
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
5-bromo-N-ethyl-4-(1-methoxypropan-2-yloxy)pyrimidin-2-amine
CID 80880390
5-bromo-2-N-ethyl-4-N-(4-methoxybutyl)pyrimidine-2,4-diamine
CID 80813928
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-propoxy-N-propylpyrimidin-2-amine
CID 80865318
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine (CID 103408326) is 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine is CCNc1ncc(Br)c(OCCCOCCOC)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine?
The InChIKey is DXTOXYSQBSJRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O3/c1-3-14-12-15-9-10(13)11(16-12)19-6-4-5-18-8-7-17-2/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine?
5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine has a molecular weight of 334.21 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-[3-(2-methoxyethoxy)propoxy]pyrimidin-2-amine is sourced from PubChem (CID 103408326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).