2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol

C12H23N5O2 — CID 114243866

IUPAC2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
SMILESCCc1nc(NN)c(C)c(N(C)CCOCCO)n1
InChIInChI=1S/C12H23N5O2/c1-4-10-14-11(16-13)9(2)12(15-10)17(3)5-7-19-8-6-18/h18H,4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyKVDLOSPQOANWOB-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.08
Rot. Bonds8

About 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol

2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol (PubChem CID 114243866) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
PubChem CID114243866
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
SMILESCCc1nc(NN)c(C)c(N(C)CCOCCO)n1
InChIInChI=1S/C12H23N5O2/c1-4-10-14-11(16-13)9(2)12(15-10)17(3)5-7-19-8-6-18/h18H,4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyKVDLOSPQOANWOB-UHFFFAOYSA-N
XLogP0.08
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80994550
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80995206
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80994737
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
N,2-diethyl-6-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80994825
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
4-N-[2-(cyclopropylmethoxy)ethyl]-2-ethyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80992976
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 81007207
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207622

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol (CID 114243866) is 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol is CCc1nc(NN)c(C)c(N(C)CCOCCO)n1.
What is the InChIKey of 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The InChIKey is KVDLOSPQOANWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-10-14-11(16-13)9(2)12(15-10)17(3)5-7-19-8-6-18/h18H,4-8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol?
2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol has a molecular weight of 269.35 g/mol, XLogP of 0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).