3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile

C15H18N6 — CID 81007453

IUPAC3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
SMILESCCc1nc(NN)c(C)c(NCc2cccc(C#N)c2)n1
InChIInChI=1S/C15H18N6/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-12-6-4-5-11(7-12)8-16/h4-7H,3,9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyXGJBTUNMVRNXTA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.12
Rot. Bonds5

About 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile

3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile (PubChem CID 81007453) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
PubChem CID81007453
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
SMILESCCc1nc(NN)c(C)c(NCc2cccc(C#N)c2)n1
InChIInChI=1S/C15H18N6/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-12-6-4-5-11(7-12)8-16/h4-7H,3,9,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyXGJBTUNMVRNXTA-UHFFFAOYSA-N
XLogP2.12
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.12
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

3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
4-N-[(3-chlorophenyl)methyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80985283
3-[[(5-ethyl-2-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 134702880
3-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 66278226
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 82751584
4-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxybenzonitrile
CID 81000728
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
3-[[(6-amino-2-pyridinyl)amino]methyl]benzonitrile
CID 80647387
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 81138714

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile (CID 81007453) is 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile is CCc1nc(NN)c(C)c(NCc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile?
The InChIKey is XGJBTUNMVRNXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-13-19-14(10(2)15(20-13)21-17)18-9-12-6-4-5-11(7-12)8-16/h4-7H,3,9,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile?
3-[[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile has a molecular weight of 282.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 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)amino]methyl]benzonitrile is sourced from PubChem (CID 81007453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).