5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

C12H23N5O — CID 106138744

IUPAC5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1nc(NN)c(C)c(NCCCC(C)O)n1
InChIInChI=1S/C12H23N5O/c1-4-10-15-11(9(3)12(16-10)17-13)14-7-5-6-8(2)18/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyCXZRRIBSPXVOJE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.21
Rot. Bonds7

About 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol

5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 106138744) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID106138744
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCCc1nc(NN)c(C)c(NCCCC(C)O)n1
InChIInChI=1S/C12H23N5O/c1-4-10-15-11(9(3)12(16-10)17-13)14-7-5-6-8(2)18/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyCXZRRIBSPXVOJE-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol with MolForge

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Related Compounds

4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
N-butan-2-yl-3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanamide
CID 81007097
6-N,2-diethyl-5-methyl-4-N-(5-methylhexyl)pyrimidine-4,6-diamine
CID 115327660
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
1-cyclopropyl-2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 81006562
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
2-ethyl-2-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 106256710
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol (CID 106138744) is 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is CCc1nc(NN)c(C)c(NCCCC(C)O)n1.
What is the InChIKey of 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is CXZRRIBSPXVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-10-15-11(9(3)12(16-10)17-13)14-7-5-6-8(2)18/h8,18H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 106138744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).