N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine

C12H23N5O — CID 62320668

IUPACN,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(COC)cc(NN)n1
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)7-6-11-14-10(9-18-3)8-12(15-11)16-13/h8H,4-7,9,13H2,1-3H3,(H,14,15,16)
InChIKeyYPFPSZSNOJPIJN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.79
Rot. Bonds8

About N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine

N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine (PubChem CID 62320668) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine
PubChem CID62320668
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCCN(CC)CCc1nc(COC)cc(NN)n1
InChIInChI=1S/C12H23N5O/c1-4-17(5-2)7-6-11-14-10(9-18-3)8-12(15-11)16-13/h8H,4-7,9,13H2,1-3H3,(H,14,15,16)
InChIKeyYPFPSZSNOJPIJN-UHFFFAOYSA-N
XLogP0.79
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
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-(dimethylamino)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 113291401
[2-[(4-chlorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62320322
[2-[(3,4-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 62904026
[2-[(2-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 55062115
2-(2-methoxyethyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318766
2-butyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 79412373
[6-(methoxymethyl)-2-(1-methoxypropyl)pyrimidin-4-yl]hydrazine
CID 116730389
2-[4-hydrazinyl-6-(2-methylpropyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115347105
(2-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 79413062
6-(methoxymethyl)-2-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 65091955
N,N-diethyl-2-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxyethanamine
CID 80940196
[6-(methoxymethyl)-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086445

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine (CID 62320668) is N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine is CCN(CC)CCc1nc(COC)cc(NN)n1.
What is the InChIKey of N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine?
The InChIKey is YPFPSZSNOJPIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-17(5-2)7-6-11-14-10(9-18-3)8-12(15-11)16-13/h8H,4-7,9,13H2,1-3H3,(H,14,15,16).
What are the key properties of N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine?
N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-hydrazinyl-6-(methoxymethyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 62320668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).