4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

C15H23N5 — CID 23583649

IUPAC4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(NN)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C15H23N5/c1-10-5-4-8-15(2,3)12(10)7-6-11-9-13(20-17)19-14(16)18-11/h6-7,9H,4-5,8,17H2,1-3H3,(H3,16,18,19,20)/b7-6+
InChIKeyZWDLEPKSXCHANM-VOTSOKGWSA-N
MW273.38 g/mol
LogP2.88
Rot. Bonds3

About 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine

4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (PubChem CID 23583649) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
PubChem CID23583649
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine
SMILESCC1=C(/C=C/c2cc(NN)nc(N)n2)C(C)(C)CCC1
InChIInChI=1S/C15H23N5/c1-10-5-4-8-15(2,3)12(10)7-6-11-9-13(20-17)19-14(16)18-11/h6-7,9H,4-5,8,17H2,1-3H3,(H3,16,18,19,20)/b7-6+
InChIKeyZWDLEPKSXCHANM-VOTSOKGWSA-N
XLogP2.88
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
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 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine (CID 23583649) is 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is CC1=C(/C=C/c2cc(NN)nc(N)n2)C(C)(C)CCC1.
What is the InChIKey of 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is ZWDLEPKSXCHANM-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-5-4-8-15(2,3)12(10)7-6-11-9-13(20-17)19-14(16)18-11/h6-7,9H,4-5,8,17H2,1-3H3,(H3,16,18,19,20)/b7-6+.
What are the key properties of 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine?
4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 23583649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).