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

C12H23N5O — CID 80994550

IUPAC2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1nc(NN)c(C)c(N(CCO)C(C)C)n1
InChIInChI=1S/C12H23N5O/c1-5-10-14-11(16-13)9(4)12(15-10)17(6-7-18)8(2)3/h8,18H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyBVPXTYVVLDXFPJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.84
Rot. Bonds6

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

2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (PubChem CID 80994550) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
PubChem CID80994550
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol
SMILESCCc1nc(NN)c(C)c(N(CCO)C(C)C)n1
InChIInChI=1S/C12H23N5O/c1-5-10-14-11(16-13)9(4)12(15-10)17(6-7-18)8(2)3/h8,18H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyBVPXTYVVLDXFPJ-UHFFFAOYSA-N
XLogP0.84
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.84
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)-pentan-3-ylamino]ethanol
CID 80994737
2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243866
2-[[2-tert-butyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80993309
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81005963
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-N-propan-2-yl-2-propylpyrimidin-4-amine
CID 81006046
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153
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
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol (CID 80994550) is 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol is CCc1nc(NN)c(C)c(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
The InChIKey is BVPXTYVVLDXFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-10-14-11(16-13)9(4)12(15-10)17(6-7-18)8(2)3/h8,18H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol?
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-propan-2-ylamino]ethanol has a molecular weight of 253.35 g/mol, XLogP of 0.84, 6 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)-propan-2-ylamino]ethanol is sourced from PubChem (CID 80994550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).