5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine

C14H26BrN5 — CID 107871847

IUPAC5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(CCC(C)C)c1nc(NN)ncc1Br
InChIInChI=1S/C14H26BrN5/c1-10(2)5-7-20(8-6-11(3)4)13-12(15)9-17-14(18-13)19-16/h9-11H,5-8,16H2,1-4H3,(H,17,18,19)
InChIKeyCZWIQMKHXUEVCS-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.42
Rot. Bonds8

About 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine (PubChem CID 107871847) has the molecular formula C14H26BrN5 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
PubChem CID107871847
Molecular FormulaC14H26BrN5
Molecular Weight344.30 g/mol
Exact Mass343.14
IUPAC Name5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCN(CCC(C)C)c1nc(NN)ncc1Br
InChIInChI=1S/C14H26BrN5/c1-10(2)5-7-20(8-6-11(3)4)13-12(15)9-17-14(18-13)19-16/h9-11H,5-8,16H2,1-4H3,(H,17,18,19)
InChIKeyCZWIQMKHXUEVCS-UHFFFAOYSA-N
XLogP3.42
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine (CID 107871847) is 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine is CC(C)CCN(CCC(C)C)c1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is CZWIQMKHXUEVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN5/c1-10(2)5-7-20(8-6-11(3)4)13-12(15)9-17-14(18-13)19-16/h9-11H,5-8,16H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 344.30 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N,N-bis(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 107871847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).