5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine

C11H20BrN5O — CID 80903174

IUPAC5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
SMILESCC(C)CCOCCNc1nc(NN)ncc1Br
InChIInChI=1S/C11H20BrN5O/c1-8(2)3-5-18-6-4-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyFZULXDMQGYPNLN-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.00
Rot. Bonds8

About 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine (PubChem CID 80903174) has the molecular formula C11H20BrN5O and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
PubChem CID80903174
Molecular FormulaC11H20BrN5O
Molecular Weight318.22 g/mol
Exact Mass317.09
IUPAC Name5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
SMILESCC(C)CCOCCNc1nc(NN)ncc1Br
InChIInChI=1S/C11H20BrN5O/c1-8(2)3-5-18-6-4-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyFZULXDMQGYPNLN-UHFFFAOYSA-N
XLogP2.00
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-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-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
CID 107871847
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
5-fluoro-2-hydrazinyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767471
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine (CID 80903174) is 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine is CC(C)CCOCCNc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine?
The InChIKey is FZULXDMQGYPNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN5O/c1-8(2)3-5-18-6-4-14-10-9(12)7-15-11(16-10)17-13/h7-8H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80903174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).