N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

C13H25N5O — CID 80909764

IUPACN-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCOCCN(CC)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H25N5O/c1-5-18(7-8-19-6-2)13-11(10(3)4)12(17-14)15-9-16-13/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyXITFOSSUOOYZPU-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.75
Rot. Bonds8

About N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine

N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80909764) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80909764
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCOCCN(CC)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H25N5O/c1-5-18(7-8-19-6-2)13-11(10(3)4)12(17-14)15-9-16-13/h9-10H,5-8,14H2,1-4H3,(H,15,16,17)
InChIKeyXITFOSSUOOYZPU-UHFFFAOYSA-N
XLogP1.75
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80913297
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 81067670
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 114072323
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80902394
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine (CID 80909764) is N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is CCOCCN(CC)c1ncnc(NN)c1C(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is XITFOSSUOOYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-18(7-8-19-6-2)13-11(10(3)4)12(17-14)15-9-16-13/h9-10H,5-8,14H2,1-4H3,(H,15,16,17).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine?
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80909764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).