3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

C8H15N5O — CID 80943609

IUPAC3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(NN)ncnc1NCCCO
InChIInChI=1S/C8H15N5O/c1-6-7(10-3-2-4-14)11-5-12-8(6)13-9/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyFXAULWJFSOUJPJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.14
Rot. Bonds5

About 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80943609) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80943609
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1c(NN)ncnc1NCCCO
InChIInChI=1S/C8H15N5O/c1-6-7(10-3-2-4-14)11-5-12-8(6)13-9/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13)
InChIKeyFXAULWJFSOUJPJ-UHFFFAOYSA-N
XLogP-0.14
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
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 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
ethyl 4-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]butanoate
CID 80915942
6-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]hexan-1-ol
CID 114009546
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366620
4-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842912
4-[2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethyl]phenol
CID 80898704
N-(2-butoxyethyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80903690
6-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855008
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
[1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457329

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol (CID 80943609) is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1c(NN)ncnc1NCCCO.
What is the InChIKey of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is FXAULWJFSOUJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6-7(10-3-2-4-14)11-5-12-8(6)13-9/h5,14H,2-4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol?
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 197.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80943609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).