3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol

C10H19N5O — CID 83180147

IUPAC3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1nc(NN)c(C)c(NC(C)CCO)n1
InChIInChI=1S/C10H19N5O/c1-6(4-5-16)12-9-7(2)10(15-11)14-8(3)13-9/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyQQJFEXRYHQXVFS-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.56
Rot. Bonds5

About 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol

3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 83180147) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID83180147
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1nc(NN)c(C)c(NC(C)CCO)n1
InChIInChI=1S/C10H19N5O/c1-6(4-5-16)12-9-7(2)10(15-11)14-8(3)13-9/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15)
InChIKeyQQJFEXRYHQXVFS-UHFFFAOYSA-N
XLogP0.56
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.56
H-Bond Donors ≤ 54
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

4-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80926849
6-hydrazinyl-2,5-dimethyl-N-octan-2-ylpyrimidin-4-amine
CID 80897483
N-(1-cyclopropylpropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80911322
4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852682
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80903132
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80995792
6-hydrazinyl-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897399
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]ethanol
CID 80932442
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198990
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118681

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol (CID 83180147) is 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol is Cc1nc(NN)c(C)c(NC(C)CCO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is QQJFEXRYHQXVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6(4-5-16)12-9-7(2)10(15-11)14-8(3)13-9/h6,16H,4-5,11H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol?
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 225.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83180147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).