3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile

C12H20N6 — CID 81005963

IUPAC3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H20N6/c1-5-10-15-11(17-14)9(3)12(16-10)18(4)8(2)6-7-13/h8H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyYWWJTUCWAHFGLA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds5

About 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile

3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile (PubChem CID 81005963) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile.

Molecular Properties

Compound Name3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
PubChem CID81005963
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile
SMILESCCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1
InChIInChI=1S/C12H20N6/c1-5-10-15-11(17-14)9(3)12(16-10)18(4)8(2)6-7-13/h8H,5-6,14H2,1-4H3,(H,15,16,17)
InChIKeyYWWJTUCWAHFGLA-UHFFFAOYSA-N
XLogP1.37
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
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

3-[(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)-methylamino]butanenitrile
CID 81006300
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-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80994438
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 81007207
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557168
N-cyclopropyl-N,2-diethyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81001386
N-(cyclobutylmethyl)-2-ethyl-6-hydrazinyl-N,5-dimethylpyrimidin-4-amine
CID 81006190
2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80994737
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 80995510
2-[2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]ethoxy]ethanol
CID 114243866

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile?
The IUPAC name of 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile (CID 81005963) is 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile.
What is the SMILES notation for 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile?
The canonical SMILES for 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile is CCc1nc(NN)c(C)c(N(C)C(C)CC#N)n1.
What is the InChIKey of 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile?
The InChIKey is YWWJTUCWAHFGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-10-15-11(17-14)9(3)12(16-10)18(4)8(2)6-7-13/h8H,5-6,14H2,1-4H3,(H,15,16,17).
What are the key properties of 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile?
3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile has a molecular weight of 248.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]butanenitrile is sourced from PubChem (CID 81005963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).