N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine

C11H21N5 — CID 80655474

IUPACN-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCN(CC)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C11H21N5/c1-4-6-16(5-2)8-11-13-9(3)7-10(14-11)15-12/h7H,4-6,8,12H2,1-3H3,(H,13,14,15)
InChIKeyOIQJIQCBRLTLBY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.30
Rot. Bonds6

About N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine

N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 80655474) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
PubChem CID80655474
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCN(CC)Cc1nc(C)cc(NN)n1
InChIInChI=1S/C11H21N5/c1-4-6-16(5-2)8-11-13-9(3)7-10(14-11)15-12/h7H,4-6,8,12H2,1-3H3,(H,13,14,15)
InChIKeyOIQJIQCBRLTLBY-UHFFFAOYSA-N
XLogP1.30
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine (CID 80655474) is N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine is CCCN(CC)Cc1nc(C)cc(NN)n1.
What is the InChIKey of N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is OIQJIQCBRLTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-4-6-16(5-2)8-11-13-9(3)7-10(14-11)15-12/h7H,4-6,8,12H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine?
N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80655474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).