2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

C14H27N5O — CID 80994737

IUPAC2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCc1nc(NN)c(C)c(N(CCO)C(CC)CC)n1
InChIInChI=1S/C14H27N5O/c1-5-11(6-2)19(8-9-20)14-10(4)13(18-15)16-12(7-3)17-14/h11,20H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyJMDULIFGGPSDIJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.62
Rot. Bonds8

About 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 80994737) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID80994737
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCc1nc(NN)c(C)c(N(CCO)C(CC)CC)n1
InChIInChI=1S/C14H27N5O/c1-5-11(6-2)19(8-9-20)14-10(4)13(18-15)16-12(7-3)17-14/h11,20H,5-9,15H2,1-4H3,(H,16,17,18)
InChIKeyJMDULIFGGPSDIJ-UHFFFAOYSA-N
XLogP1.62
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.62
H-Bond Donors ≤ 53
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

2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80994550
2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243866
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
N,2-diethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80994825
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80994953
N-cyclopropyl-N,2-diethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81001386
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80995206
3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81005963
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80994438
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 81007207
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 80994737) is 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCc1nc(NN)c(C)c(N(CCO)C(CC)CC)n1.
What is the InChIKey of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is JMDULIFGGPSDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-11(6-2)19(8-9-20)14-10(4)13(18-15)16-12(7-3)17-14/h11,20H,5-9,15H2,1-4H3,(H,16,17,18).
What are the key properties of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80994737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).