5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

C12H23N5O — CID 106138739

IUPAC5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncnc(NN)c1C(C)C
InChIInChI=1S/C12H23N5O/c1-8(2)10-11(14-6-4-5-9(3)18)15-7-16-12(10)17-13/h7-9,18H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyJQVIWONKADWKFC-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.46
Rot. Bonds7

About 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106138739) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106138739
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCC(O)CCCNc1ncnc(NN)c1C(C)C
InChIInChI=1S/C12H23N5O/c1-8(2)10-11(14-6-4-5-9(3)18)15-7-16-12(10)17-13/h7-9,18H,4-6,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyJQVIWONKADWKFC-UHFFFAOYSA-N
XLogP1.46
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.46
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'}

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Related Compounds

5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138742
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
1-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159905
3-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80903053
5-[(6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138705
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
6-hydrazinyl-N-(2-phenoxyethyl)-5-propan-2-ylpyrimidin-4-amine
CID 80902452
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
4-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80790850
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 106412550
6-hydrazinyl-N-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 80906560

Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (CID 106138739) is 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is CC(O)CCCNc1ncnc(NN)c1C(C)C.
What is the InChIKey of 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is JQVIWONKADWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-8(2)10-11(14-6-4-5-9(3)18)15-7-16-12(10)17-13/h7-9,18H,4-6,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).