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

C8H14BrN5O2 — CID 80913402

IUPAC1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5O2/c1-16-4-5(15)2-11-7-6(9)3-12-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyDZNUDWOIPIYUQR-UHFFFAOYSA-N
MW292.14 g/mol
LogP-0.06
Rot. Bonds6

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

1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (PubChem CID 80913402) has the molecular formula C8H14BrN5O2 and a molecular weight of 292.14 g/mol. Its IUPAC name is 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
PubChem CID80913402
Molecular FormulaC8H14BrN5O2
Molecular Weight292.14 g/mol
Exact Mass291.03
IUPAC Name1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1nc(NN)ncc1Br
InChIInChI=1S/C8H14BrN5O2/c1-16-4-5(15)2-11-7-6(9)3-12-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14)
InChIKeyDZNUDWOIPIYUQR-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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol (CID 80913402) is 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is COCC(O)CNc1nc(NN)ncc1Br.
What is the InChIKey of 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
The InChIKey is DZNUDWOIPIYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN5O2/c1-16-4-5(15)2-11-7-6(9)3-12-8(13-7)14-10/h3,5,15H,2,4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol?
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-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 1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 80913402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).