5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

C10H17BrN6 — CID 106026101

IUPAC5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC1CNc1nc(NN)ncc1Br
InChIInChI=1S/C10H17BrN6/c1-17-4-2-3-7(17)5-13-9-8(11)6-14-10(15-9)16-12/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyHMSDOQZIKUVMOL-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.03
Rot. Bonds4

About 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106026101) has the molecular formula C10H17BrN6 and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
PubChem CID106026101
Molecular FormulaC10H17BrN6
Molecular Weight301.19 g/mol
Exact Mass300.07
IUPAC Name5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
SMILESCN1CCCC1CNc1nc(NN)ncc1Br
InChIInChI=1S/C10H17BrN6/c1-17-4-2-3-7(17)5-13-9-8(11)6-14-10(15-9)16-12/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyHMSDOQZIKUVMOL-UHFFFAOYSA-N
XLogP1.03
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 106022717
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
6-ethyl-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 106026089
3,5-difluoro-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 106026111
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80944062
6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 114138405
5-bromo-2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80922898
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 103724805
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine (CID 106026101) is 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is CN1CCCC1CNc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is HMSDOQZIKUVMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN6/c1-17-4-2-3-7(17)5-13-9-8(11)6-14-10(15-9)16-12/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 301.19 g/mol, XLogP of 1.03, 4 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-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106026101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).