2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

C8H14BrN5O2 — CID 106198983

IUPAC2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(NN)c1Br
InChIInChI=1S/C8H14BrN5O2/c1-16-3-5(2-15)13-7-6(9)8(14-10)12-4-11-7/h4-5,15H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyOZFUDRQGHISPBT-UHFFFAOYSA-N
MW292.14 g/mol
LogP-0.06
Rot. Bonds6

About 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol

2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (PubChem CID 106198983) has the molecular formula C8H14BrN5O2 and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
PubChem CID106198983
Molecular FormulaC8H14BrN5O2
Molecular Weight292.14 g/mol
Exact Mass291.03
IUPAC Name2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)Nc1ncnc(NN)c1Br
InChIInChI=1S/C8H14BrN5O2/c1-16-3-5(2-15)13-7-6(9)8(14-10)12-4-11-7/h4-5,15H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyOZFUDRQGHISPBT-UHFFFAOYSA-N
XLogP-0.06
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-[(5-amino-6-methoxypyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106184118
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198795
2-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184186
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198990
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106192405
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
4-chloro-6-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 106192408
2-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 22024679
2-[(5-bromo-6-chloropyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106194112
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114152252

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol (CID 106198983) is 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is COCC(CO)Nc1ncnc(NN)c1Br.
What is the InChIKey of 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
The InChIKey is OZFUDRQGHISPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5O2/c1-16-3-5(2-15)13-7-6(9)8(14-10)12-4-11-7/h4-5,15H,2-3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol?
2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol has a molecular weight of 292.14 g/mol, XLogP of -0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106198983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).